CAS RN: 256353-34-1

2,3-Dichlorothiophene-5-sulfonamide, solid

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  • Product code: LIND921613
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256353-34-1 / 4,5-dichlorothiophene-2-sulfonamide

Standard CAS: 256353-34-1 Multi CAS: No

Basic Information

CAS
256353-34-1
Multi CAS
No
Molecular Formula
C4H3Cl2NO2S2
Molecular Weight
232.100000
Exact Mass
230.898226
SMILES
C1=C(SC(=C1Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C4H3Cl2NO2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H,(H2,7,8,9)
InChIKey
JKBNSTFOQDGQLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.71
TPSA
60.16

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
2.1
Consensus LogP
1.77
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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