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

C22H24BrClN2O4S — CID 133239031

IUPAC4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide
SMILESCC1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C22H24BrClN2O4S/c1-14-10-15-11-16(23)6-8-20(15)26(14)22(27)13-30-21-9-7-18(12-19(21)24)31(28,29)25-17-4-2-3-5-17/h6-9,11-12,14,17,25H,2-5,10,13H2,1H3
InChIKeyVFZQEBDPAUWJQF-UHFFFAOYSA-N
MW527.87 g/mol
LogP4.68
Rot. Bonds6

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

4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide (PubChem CID 133239031) has the molecular formula C22H24BrClN2O4S and a molecular weight of 527.87 g/mol. Its IUPAC name is 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide
PubChem CID133239031
Molecular FormulaC22H24BrClN2O4S
Molecular Weight527.87 g/mol
Exact Mass526.03
IUPAC Name4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide
SMILESCC1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl
InChIInChI=1S/C22H24BrClN2O4S/c1-14-10-15-11-16(23)6-8-20(15)26(14)22(27)13-30-21-9-7-18(12-19(21)24)31(28,29)25-17-4-2-3-5-17/h6-9,11-12,14,17,25H,2-5,10,13H2,1H3
InChIKeyVFZQEBDPAUWJQF-UHFFFAOYSA-N
XLogP4.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.87
LogP ≤ 54.68
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]-N-cyclohexyl-3-methylbenzenesulfonamide
CID 133238941
4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 133238931
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
CID 6957749
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-[1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 133163493
3-chloro-N-cyclohexyl-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 3934161
N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 19164445
3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1093381
1-[2-(2-chloro-4-phenylphenoxy)acetyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 42922267
3-chloro-N-cyclohexyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide
CID 1254813
[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 100799926
2-[2-chloro-4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 133239020
4-bromo-N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide
CID 100790806

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide (CID 133239031) is 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide is CC1Cc2cc(Br)ccc2N1C(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl.
What is the InChIKey of 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide?
The InChIKey is VFZQEBDPAUWJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrClN2O4S/c1-14-10-15-11-16(23)6-8-20(15)26(14)22(27)13-30-21-9-7-18(12-19(21)24)31(28,29)25-17-4-2-3-5-17/h6-9,11-12,14,17,25H,2-5,10,13H2,1H3.
What are the key properties of 4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide?
4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-chloro-N-cyclopentylbenzenesulfonamide has a molecular weight of 527.87 g/mol, XLogP of 4.68, 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]-3-chloro-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 133239031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).