4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide

C24H29BrN2O4S — CID 133238941

IUPAC4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1c2ccc(Br)cc2CC1C
InChIInChI=1S/C24H29BrN2O4S/c1-16-12-21(32(29,30)26-20-6-4-3-5-7-20)9-11-23(16)31-15-24(28)27-17(2)13-18-14-19(25)8-10-22(18)27/h8-12,14,17,20,26H,3-7,13,15H2,1-2H3
InChIKeyHQBWUUBZQIIXFS-UHFFFAOYSA-N
MW521.48 g/mol
LogP4.73
Rot. Bonds6

About 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide

4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide (PubChem CID 133238941) has the molecular formula C24H29BrN2O4S and a molecular weight of 521.48 g/mol. Its IUPAC name is 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide
PubChem CID133238941
Molecular FormulaC24H29BrN2O4S
Molecular Weight521.48 g/mol
Exact Mass520.10
IUPAC Name4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1c2ccc(Br)cc2CC1C
InChIInChI=1S/C24H29BrN2O4S/c1-16-12-21(32(29,30)26-20-6-4-3-5-7-20)9-11-23(16)31-15-24(28)27-17(2)13-18-14-19(25)8-10-22(18)27/h8-12,14,17,20,26H,3-7,13,15H2,1-2H3
InChIKeyHQBWUUBZQIIXFS-UHFFFAOYSA-N
XLogP4.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide
CID 133239031
4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 133238931
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 4627515
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 133163367
4-bromo-N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide
CID 100790806
N,N,3-trimethyl-4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 133239000
[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125049827
N-benzyl-N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 133180012
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4-dimethylbenzenesulfonamide
CID 108564246

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide?
The IUPAC name of 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide (CID 133238941) is 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide?
The canonical SMILES for 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1c2ccc(Br)cc2CC1C.
What is the InChIKey of 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide?
The InChIKey is HQBWUUBZQIIXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O4S/c1-16-12-21(32(29,30)26-20-6-4-3-5-7-20)9-11-23(16)31-15-24(28)27-17(2)13-18-14-19(25)8-10-22(18)27/h8-12,14,17,20,26H,3-7,13,15H2,1-2H3.
What are the key properties of 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide?
4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide has a molecular weight of 521.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 133238941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).