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

C17H15ClN2O3S — CID 506872

IUPAC5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C17H15ClN2O3S/c1-9-3-6-14(10(2)7-9)24(22,23)16-12-8-11(18)4-5-13(12)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21)
InChIKeyDVKJMWLZPHIJIH-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.37
Rot. Bonds3

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

5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 506872) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID506872
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c(C)c1
InChIInChI=1S/C17H15ClN2O3S/c1-9-3-6-14(10(2)7-9)24(22,23)16-12-8-11(18)4-5-13(12)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21)
InChIKeyDVKJMWLZPHIJIH-UHFFFAOYSA-N
XLogP3.37
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxylate
CID 11143341
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013827
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
CID 162220092
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10471920
5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 69088329
3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide
CID 10068626
5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide
CID 90709499
5-chloro-3-[methyl(oxan-4-yl)sulfamoyl]-1H-indole-2-carboxamide
CID 10067849
N-(4-amino-3-methyl-4-oxobutan-2-yl)-5-chloro-3-(3-methylphenyl)sulfonyl-1H-indole-2-carboxamide;ethane
CID 142861988

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (CID 506872) is 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is Cc1ccc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c(C)c1.
What is the InChIKey of 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is DVKJMWLZPHIJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-9-3-6-14(10(2)7-9)24(22,23)16-12-8-11(18)4-5-13(12)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21).
What are the key properties of 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 506872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).