4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C17H17ClN2O3S — CID 55524756

IUPAC4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H17ClN2O3S/c1-11-9-12-5-3-4-6-16(12)20(11)17(21)14-10-13(7-8-15(14)18)24(22,23)19-2/h3-8,10-11,19H,9H2,1-2H3
InChIKeyXNPATIFYBSRMMX-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.84
Rot. Bonds3

About 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 55524756) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID55524756
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2c3ccccc3CC2C)c1
InChIInChI=1S/C17H17ClN2O3S/c1-11-9-12-5-3-4-6-16(12)20(11)17(21)14-10-13(7-8-15(14)18)24(22,23)19-2/h3-8,10-11,19H,9H2,1-2H3
InChIKeyXNPATIFYBSRMMX-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
N-cyclopropyl-4-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940847
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
[2-(2,5-dichlorophenoxy)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 59294510
2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42892758
4-chloro-3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 34281083
N-[2-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]methanesulfonamide
CID 41368454
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940837
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 55524756) is 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2c3ccccc3CC2C)c1.
What is the InChIKey of 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is XNPATIFYBSRMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-11-9-12-5-3-4-6-16(12)20(11)17(21)14-10-13(7-8-15(14)18)24(22,23)19-2/h3-8,10-11,19H,9H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55524756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).