5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide

C16H13ClN2O3S — CID 506867

IUPAC5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
InChIKeyISDVLXGUCZEBAA-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.06
Rot. Bonds3

About 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide

5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 506867) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID506867
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)
InChIKeyISDVLXGUCZEBAA-UHFFFAOYSA-N
XLogP3.06
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzenesulfonyl-5-chloroindole-2-carboxamide
CID 454844
5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
CID 506873
5-Chloro-3-phenylthioindole-2-carboxamide
CID 189896
N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454851
5-chloro-N-methyl-3-phenylsulfanyl-1H-indole-2-carboxamide
CID 454852
3-(benzenesulfinyl)-5-chloro-1H-indole-2-carboxamide
CID 454853
5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 3721490
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N'-(2-hydroxyethyl)-1H-indole-2-carbohydrazide
CID 510647
3-(3,5-dimethylphenyl)sulfonyl-4,5-difluoro-1H-indole-2-carboxamide
CID 510655
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-4-fluoro-1H-indole-2-carboxamide
CID 10271170
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N'-isopropyl-1H-indole-2-carbohydrazide
CID 11625926
3-(benzenesulfonyl)-5-chloro-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 11948688

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide (CID 506867) is 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide is Cc1ccc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is ISDVLXGUCZEBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20).
What are the key properties of 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide?
5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylphenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 506867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).