N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide

C25H23BrClFN2O3S — CID 125061901

IUPACN-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@H]2C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C25H23BrClFN2O3S/c1-16-6-9-20(10-7-16)34(32,33)29(14-21-22(27)4-3-5-23(21)28)15-25(31)30-17(2)12-18-13-19(26)8-11-24(18)30/h3-11,13,17H,12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyBKPKUXNBMVCISH-QGZVFWFLSA-N
MW565.89 g/mol
LogP5.72
Rot. Bonds6

About N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide

N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 125061901) has the molecular formula C25H23BrClFN2O3S and a molecular weight of 565.89 g/mol. Its IUPAC name is N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID125061901
Molecular FormulaC25H23BrClFN2O3S
Molecular Weight565.89 g/mol
Exact Mass564.03
IUPAC NameN-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@H]2C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C25H23BrClFN2O3S/c1-16-6-9-20(10-7-16)34(32,33)29(14-21-22(27)4-3-5-23(21)28)15-25(31)30-17(2)12-18-13-19(26)8-11-24(18)30/h3-11,13,17H,12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyBKPKUXNBMVCISH-QGZVFWFLSA-N
XLogP5.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.89
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide
CID 133179834
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-[(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
4-bromo-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 133179910
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 133179694
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 125049221
4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794643
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793311
4-bromo-N-[(4-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794102

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide (CID 125061901) is N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2c3ccc(Br)cc3C[C@H]2C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is BKPKUXNBMVCISH-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23BrClFN2O3S/c1-16-6-9-20(10-7-16)34(32,33)29(14-21-22(27)4-3-5-23(21)28)15-25(31)30-17(2)12-18-13-19(26)8-11-24(18)30/h3-11,13,17H,12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 565.89 g/mol, XLogP of 5.72, 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]-N-[(2-chloro-6-fluorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 125061901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).