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[ CAS No. 102-65-8 ] {[proInfo.proName]}

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Chemical Structure| 102-65-8
Chemical Structure| 102-65-8
Structure of 102-65-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 102-65-8 ]

CAS No. :102-65-8 MDL No. :MFCD00868569
Formula : C10H9ClN4O2S Boiling Point : -
Linear Structure Formula :- InChI Key :QKLPUVXBJHRFQZ-UHFFFAOYSA-N
M.W : 284.72 Pubchem ID :66890
Synonyms :
Sulfachloropyrazine;Sulfalozine sodium;Sulfachlopryrazine sodium;Sulfaclozine sodium
Chemical Name :4-Amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide

Calculated chemistry of [ 102-65-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 68.56
TPSA : 106.35 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.38 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.69
Log Po/w (XLOGP3) : 0.92
Log Po/w (WLOGP) : 2.41
Log Po/w (MLOGP) : -0.44
Log Po/w (SILICOS-IT) : 0.38
Consensus Log Po/w : 0.79

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.48
Solubility : 0.942 mg/ml ; 0.00331 mol/l
Class : Soluble
Log S (Ali) : -2.74
Solubility : 0.519 mg/ml ; 0.00182 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.4
Solubility : 0.0114 mg/ml ; 0.0000399 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.77

Safety of [ 102-65-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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