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

C25H24BrClN2O3S — CID 125063204

IUPACN-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(CC(=O)N1c2ccc(Br)cc2C[C@H]1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H24BrClN2O3S/c1-17-5-3-4-6-19(17)15-28(33(31,32)23-10-8-22(27)9-11-23)16-25(30)29-18(2)13-20-14-21(26)7-12-24(20)29/h3-12,14,18H,13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyUVSSXEZFRUGBFR-GOSISDBHSA-N
MW547.90 g/mol
LogP5.58
Rot. Bonds6

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

N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide (PubChem CID 125063204) has the molecular formula C25H24BrClN2O3S and a molecular weight of 547.90 g/mol. Its IUPAC name is N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
PubChem CID125063204
Molecular FormulaC25H24BrClN2O3S
Molecular Weight547.90 g/mol
Exact Mass546.04
IUPAC NameN-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccccc1CN(CC(=O)N1c2ccc(Br)cc2C[C@H]1C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H24BrClN2O3S/c1-17-5-3-4-6-19(17)15-28(33(31,32)23-10-8-22(27)9-11-23)16-25(30)29-18(2)13-20-14-21(26)7-12-24(20)29/h3-12,14,18H,13,15-16H2,1-2H3/t18-/m1/s1
InChIKeyUVSSXEZFRUGBFR-GOSISDBHSA-N
XLogP5.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.90
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
CID 100790490
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 133179694
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-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794643
4-bromo-N-[(4-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794102
4-chloro-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100791923
4-chloro-N-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179817
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 125061901
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 125049221
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793407
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide (CID 125063204) is N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide is Cc1ccccc1CN(CC(=O)N1c2ccc(Br)cc2C[C@H]1C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is UVSSXEZFRUGBFR-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24BrClN2O3S/c1-17-5-3-4-6-19(17)15-28(33(31,32)23-10-8-22(27)9-11-23)16-25(30)29-18(2)13-20-14-21(26)7-12-24(20)29/h3-12,14,18H,13,15-16H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide?
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 547.90 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 125063204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).