2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide

C16H15ClN2O3S — CID 112506182

IUPAC2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
SMILESCS(=O)(=O)N1CCc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C16H15ClN2O3S/c1-23(21,22)19-9-8-11-10-12(6-7-15(11)19)18-16(20)13-4-2-3-5-14(13)17/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyWGFRQIDBCIBQBO-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.91
Rot. Bonds3

About 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide

2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide (PubChem CID 112506182) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
PubChem CID112506182
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
SMILESCS(=O)(=O)N1CCc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C16H15ClN2O3S/c1-23(21,22)19-9-8-11-10-12(6-7-15(11)19)18-16(20)13-4-2-3-5-14(13)17/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyWGFRQIDBCIBQBO-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657890
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 110303929
1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389806
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 68655907
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The IUPAC name of 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide (CID 112506182) is 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide is CS(=O)(=O)N1CCc2cc(NC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
The InChIKey is WGFRQIDBCIBQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-23(21,22)19-9-8-11-10-12(6-7-15(11)19)18-16(20)13-4-2-3-5-14(13)17/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide?
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide has a molecular weight of 350.83 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide is sourced from PubChem (CID 112506182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).