N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide

C21H17ClN2O3S — CID 99953294

IUPACN-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCc2ccccc21
InChIInChI=1S/C21H17ClN2O3S/c22-19-11-10-16(23-28(26,27)17-7-2-1-3-8-17)14-18(19)21(25)24-13-12-15-6-4-5-9-20(15)24/h1-11,14,23H,12-13H2
InChIKeyPUWMJUHXSZBTHU-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.34
Rot. Bonds4

About N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide

N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 99953294) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID99953294
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC NameN-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCc2ccccc21
InChIInChI=1S/C21H17ClN2O3S/c22-19-11-10-16(23-28(26,27)17-7-2-1-3-8-17)14-18(19)21(25)24-13-12-15-6-4-5-9-20(15)24/h1-11,14,23H,12-13H2
InChIKeyPUWMJUHXSZBTHU-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-chlorobenzenesulfonamide
CID 27557632
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
CID 99952888
N-[2-(2,3-dihydroindole-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2335196
N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 20959960

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide (CID 99953294) is N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CCc2ccccc21.
What is the InChIKey of N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is PUWMJUHXSZBTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c22-19-11-10-16(23-28(26,27)17-7-2-1-3-8-17)14-18(19)21(25)24-13-12-15-6-4-5-9-20(15)24/h1-11,14,23H,12-13H2.
What are the key properties of N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 412.90 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 99953294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).