4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

C17H17ClN2O3S — CID 1301415

IUPAC4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-19(24(22,23)15-8-6-14(18)7-9-15)12-17(21)20-11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3
InChIKeyBVXKYOGRAWWCIP-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.55
Rot. Bonds4

About 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 1301415) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID1301415
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-19(24(22,23)15-8-6-14(18)7-9-15)12-17(21)20-11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3
InChIKeyBVXKYOGRAWWCIP-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
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CID 710426
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 2315573
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
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CID 57345520
N-[(4-chlorophenyl)sulfonyl]-N-(2-methylphenyl)acetamide
CID 872494
1-acetyl-N-(2-chlorophenyl)-6-indolinesulfonamide
CID 2940704
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
1-Acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 20853143
2-[(3-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44580808
2-[(2-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581170
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-4-chloro-N-cyclobutylbenzenesulfonamide
CID 89659380

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (CID 1301415) is 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is BVXKYOGRAWWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-19(24(22,23)15-8-6-14(18)7-9-15)12-17(21)20-11-10-13-4-2-3-5-16(13)20/h2-9H,10-12H2,1H3.
What are the key properties of 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 364.85 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 1301415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).