2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide

C21H15ClN2O3S — CID 58107485

IUPAC2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccccc4)c[nH]c3c2)ccc1Cl
InChIInChI=1S/C21H15ClN2O3S/c22-18-9-7-15(11-20(18)28(23,26)27)21(25)14-6-8-16-17(12-24-19(16)10-14)13-4-2-1-3-5-13/h1-12,24H,(H2,23,26,27)
InChIKeyZXFQADHTAIYAAR-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.37
Rot. Bonds4

About 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide

2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide (PubChem CID 58107485) has the molecular formula C21H15ClN2O3S and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide
PubChem CID58107485
Molecular FormulaC21H15ClN2O3S
Molecular Weight410.88 g/mol
Exact Mass410.05
IUPAC Name2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccccc4)c[nH]c3c2)ccc1Cl
InChIInChI=1S/C21H15ClN2O3S/c22-18-9-7-15(11-20(18)28(23,26)27)21(25)14-6-8-16-17(12-24-19(16)10-14)13-4-2-1-3-5-13/h1-12,24H,(H2,23,26,27)
InChIKeyZXFQADHTAIYAAR-UHFFFAOYSA-N
XLogP4.37
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[3-(2-chloro-4-pyridinyl)-1H-indole-6-carbonyl]benzenesulfonamide
CID 87178887
2-chloro-5-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-indole-6-carbonyl]benzenesulfonamide
CID 66850317
5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide
CID 66850404
2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide
CID 141249458
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568827
methyl 3-phenyl-1H-indole-6-carboxylate;2,2,2-trifluoroacetic acid
CID 131731077
2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
CID 21316638
2-chloro-5-[4-(3-phenylpropanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane
CID 162149031
2-chloro-5-(4-phenylbenzoyl)benzenesulfonamide;4-chloro-3-sulfamoylbenzoyl chloride;methane;phenylcyclohexatriene
CID 157195250
aniline;5-(4-anilinobenzoyl)-2-chlorobenzenesulfonamide;5-(4-bromobenzoyl)-2-chlorobenzenesulfonamide
CID 158520289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide (CID 58107485) is 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide is NS(=O)(=O)c1cc(C(=O)c2ccc3c(-c4ccccc4)c[nH]c3c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide?
The InChIKey is ZXFQADHTAIYAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3S/c22-18-9-7-15(11-20(18)28(23,26)27)21(25)14-6-8-16-17(12-24-19(16)10-14)13-4-2-1-3-5-13/h1-12,24H,(H2,23,26,27).
What are the key properties of 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide?
2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide has a molecular weight of 410.88 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)benzenesulfonamide is sourced from PubChem (CID 58107485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).