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

C22H19ClN2O3S — CID 94012252

IUPACN-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H19ClN2O3S/c1-15-13-16-7-5-6-10-21(16)25(15)22(26)19-14-17(11-12-20(19)23)24-29(27,28)18-8-3-2-4-9-18/h2-12,14-15,24H,13H2,1H3/t15-/m1/s1
InChIKeyFCPZVOQSPLZROB-OAHLLOKOSA-N
MW426.93 g/mol
LogP4.73
Rot. Bonds4

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

N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 94012252) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID94012252
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC NameN-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C22H19ClN2O3S/c1-15-13-16-7-5-6-10-21(16)25(15)22(26)19-14-17(11-12-20(19)23)24-29(27,28)18-8-3-2-4-9-18/h2-12,14-15,24H,13H2,1H3/t15-/m1/s1
InChIKeyFCPZVOQSPLZROB-OAHLLOKOSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55524756
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
CID 19257347
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 99953294
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 30398633
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
N-[4-chloro-3-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46771316
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 42940841
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 28631519
N-[2-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]methanesulfonamide
CID 41368454
1-[5-(benzenesulfonamido)-2-chlorobenzoyl]piperidine-4-carboxamide
CID 99952888

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide (CID 94012252) is N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide is C[C@@H]1Cc2ccccc2N1C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is FCPZVOQSPLZROB-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-15-13-16-7-5-6-10-21(16)25(15)22(26)19-14-17(11-12-20(19)23)24-29(27,28)18-8-3-2-4-9-18/h2-12,14-15,24H,13H2,1H3/t15-/m1/s1.
What are the key properties of N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide?
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 426.93 g/mol, XLogP of 4.73, 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-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 94012252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).