6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide

C12H9Cl2N3O2S2 — CID 170733283

IUPAC6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide
SMILESCc1snc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1Cl
InChIInChI=1S/C12H9Cl2N3O2S2/c1-6-11(14)12(16-20-6)17-21(18,19)10-5-15-9-4-7(13)2-3-8(9)10/h2-5,15H,1H3,(H,16,17)
InChIKeySPBFWBWXJWBYSJ-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.04
Rot. Bonds3

About 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide

6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide (PubChem CID 170733283) has the molecular formula C12H9Cl2N3O2S2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide
PubChem CID170733283
Molecular FormulaC12H9Cl2N3O2S2
Molecular Weight362.26 g/mol
Exact Mass360.95
IUPAC Name6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide
SMILESCc1snc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1Cl
InChIInChI=1S/C12H9Cl2N3O2S2/c1-6-11(14)12(16-20-6)17-21(18,19)10-5-15-9-4-7(13)2-3-8(9)10/h2-5,15H,1H3,(H,16,17)
InChIKeySPBFWBWXJWBYSJ-UHFFFAOYSA-N
XLogP4.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide (CID 170733283) is 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide is Cc1snc(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)c1Cl.
What is the InChIKey of 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide?
The InChIKey is SPBFWBWXJWBYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2S2/c1-6-11(14)12(16-20-6)17-21(18,19)10-5-15-9-4-7(13)2-3-8(9)10/h2-5,15H,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide?
6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide has a molecular weight of 362.26 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-5-methyl-1,2-thiazol-3-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 170733283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).