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

C24H20BrCl2FN2O3S — CID 133179834

IUPACN-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide
SMILESCC1Cc2cc(Br)ccc2N1C(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20BrCl2FN2O3S/c1-15-11-16-12-17(25)5-10-23(16)30(15)24(31)14-29(13-20-21(27)3-2-4-22(20)28)34(32,33)19-8-6-18(26)7-9-19/h2-10,12,15H,11,13-14H2,1H3
InChIKeyYVDWKWCIIFWOQG-UHFFFAOYSA-N
MW586.31 g/mol
LogP6.06
Rot. Bonds6

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

N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 133179834) has the molecular formula C24H20BrCl2FN2O3S and a molecular weight of 586.31 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide
PubChem CID133179834
Molecular FormulaC24H20BrCl2FN2O3S
Molecular Weight586.31 g/mol
Exact Mass583.97
IUPAC NameN-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide
SMILESCC1Cc2cc(Br)ccc2N1C(=O)CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H20BrCl2FN2O3S/c1-15-11-16-12-17(25)5-10-23(16)30(15)24(31)14-29(13-20-21(27)3-2-4-22(20)28)34(32,33)19-8-6-18(26)7-9-19/h2-10,12,15H,11,13-14H2,1H3
InChIKeyYVDWKWCIIFWOQG-UHFFFAOYSA-N
XLogP6.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.31
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 125063204
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 133179694
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-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-ethylbenzenesulfonamide
CID 125049221
4-bromo-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100794643
4-chloro-N-[(2-chlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100791923
4-chloro-N-[(4-chlorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179803
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100793407

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-chloro-6-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide (CID 133179834) is N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide is CC1Cc2cc(Br)ccc2N1C(=O)CN(Cc1c(F)cccc1Cl)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-chloro-6-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is YVDWKWCIIFWOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrCl2FN2O3S/c1-15-11-16-12-17(25)5-10-23(16)30(15)24(31)14-29(13-20-21(27)3-2-4-22(20)28)34(32,33)19-8-6-18(26)7-9-19/h2-10,12,15H,11,13-14H2,1H3.
What are the key properties of N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide?
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 586.31 g/mol, XLogP of 6.06, 6 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-chloro-6-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 133179834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).