N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide

C11H8ClN3O2S2 — CID 171664649

IUPACN-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1nccs1
InChIInChI=1S/C11H8ClN3O2S2/c12-8-6-14-10-7(8)2-1-3-9(10)15-19(16,17)11-13-4-5-18-11/h1-6,14-15H
InChIKeyOUQZJLYFWKKANV-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.08
Rot. Bonds3

About N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide

N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide (PubChem CID 171664649) has the molecular formula C11H8ClN3O2S2 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
PubChem CID171664649
Molecular FormulaC11H8ClN3O2S2
Molecular Weight313.79 g/mol
Exact Mass312.97
IUPAC NameN-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1nccs1
InChIInChI=1S/C11H8ClN3O2S2/c12-8-6-14-10-7(8)2-1-3-9(10)15-19(16,17)11-13-4-5-18-11/h1-6,14-15H
InChIKeyOUQZJLYFWKKANV-UHFFFAOYSA-N
XLogP3.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide (CID 171664649) is N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide is O=S(=O)(Nc1cccc2c(Cl)c[nH]c12)c1nccs1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The InChIKey is OUQZJLYFWKKANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2S2/c12-8-6-14-10-7(8)2-1-3-9(10)15-19(16,17)11-13-4-5-18-11/h1-6,14-15H.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide has a molecular weight of 313.79 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 171664649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).