N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide

C25H24BrClN2O3S — CID 133179694

IUPACN-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
SMILESCC1Cc2cc(Br)ccc2N1C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H24BrClN2O3S/c1-18-15-20-16-21(26)7-12-24(20)29(18)25(30)17-28(14-13-19-5-3-2-4-6-19)33(31,32)23-10-8-22(27)9-11-23/h2-12,16,18H,13-15,17H2,1H3
InChIKeyPCXGYAKDHGHLFE-UHFFFAOYSA-N
MW547.90 g/mol
LogP5.31
Rot. Bonds7

About N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide

N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 133179694) has the molecular formula C25H24BrClN2O3S and a molecular weight of 547.90 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID133179694
Molecular FormulaC25H24BrClN2O3S
Molecular Weight547.90 g/mol
Exact Mass546.04
IUPAC NameN-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
SMILESCC1Cc2cc(Br)ccc2N1C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H24BrClN2O3S/c1-18-15-20-16-21(26)7-12-24(20)29(18)25(30)17-28(14-13-19-5-3-2-4-6-19)33(31,32)23-10-8-22(27)9-11-23/h2-12,16,18H,13-15,17H2,1H3
InChIKeyPCXGYAKDHGHLFE-UHFFFAOYSA-N
XLogP5.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.90
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 100789986
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 133179670
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 133179804
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 125063204
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
CID 100790490
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 125049221
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide
CID 133179834
4-bromo-N-[(4-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794102
N-benzyl-N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-ethoxybenzenesulfonamide
CID 100797676
4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 133239352
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
N-benzyl-N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 133180012

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide (CID 133179694) is N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide is CC1Cc2cc(Br)ccc2N1C(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is PCXGYAKDHGHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrClN2O3S/c1-18-15-20-16-21(26)7-12-24(20)29(18)25(30)17-28(14-13-19-5-3-2-4-6-19)33(31,32)23-10-8-22(27)9-11-23/h2-12,16,18H,13-15,17H2,1H3.
What are the key properties of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide?
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 547.90 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 133179694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).