4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

C25H25ClN2O3S — CID 133188810

IUPAC4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccc4c(c3)CCC4)ccc2Cl)cc1
InChIInChI=1S/C25H25ClN2O3S/c1-16-6-11-22(12-7-16)28-32(30,31)24-15-21(10-13-23(24)26)25(29)27-17(2)19-9-8-18-4-3-5-20(18)14-19/h6-15,17,28H,3-5H2,1-2H3,(H,27,29)
InChIKeyKSMABZKSHDOTQK-UHFFFAOYSA-N
MW469.01 g/mol
LogP5.43
Rot. Bonds6

About 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide

4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 133188810) has the molecular formula C25H25ClN2O3S and a molecular weight of 469.01 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID133188810
Molecular FormulaC25H25ClN2O3S
Molecular Weight469.01 g/mol
Exact Mass468.13
IUPAC Name4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccc4c(c3)CCC4)ccc2Cl)cc1
InChIInChI=1S/C25H25ClN2O3S/c1-16-6-11-22(12-7-16)28-32(30,31)24-15-21(10-13-23(24)26)25(29)27-17(2)19-9-8-18-4-3-5-20(18)14-19/h6-15,17,28H,3-5H2,1-2H3,(H,27,29)
InChIKeyKSMABZKSHDOTQK-UHFFFAOYSA-N
XLogP5.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide 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

4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133188274
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191328
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 30380701
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132617871
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43915395
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46771208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 133188810) is 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)c3ccc4c(c3)CCC4)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is KSMABZKSHDOTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3S/c1-16-6-11-22(12-7-16)28-32(30,31)24-15-21(10-13-23(24)26)25(29)27-17(2)19-9-8-18-4-3-5-20(18)14-19/h6-15,17,28H,3-5H2,1-2H3,(H,27,29).
What are the key properties of 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide?
4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 469.01 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 133188810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).