2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide

C21H25ClN2O3S2 — CID 46598242

IUPAC2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(SC3CCCC3)cc2)c1
InChIInChI=1S/C21H25ClN2O3S2/c1-14(2)24-29(26,27)18-11-12-20(22)19(13-18)21(25)23-15-7-9-17(10-8-15)28-16-5-3-4-6-16/h7-14,16,24H,3-6H2,1-2H3,(H,23,25)
InChIKeyXWXOMNQPKAZDND-UHFFFAOYSA-N
MW453.03 g/mol
LogP5.31
Rot. Bonds7

About 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46598242) has the molecular formula C21H25ClN2O3S2 and a molecular weight of 453.03 g/mol. Its IUPAC name is 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID46598242
Molecular FormulaC21H25ClN2O3S2
Molecular Weight453.03 g/mol
Exact Mass452.10
IUPAC Name2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(SC3CCCC3)cc2)c1
InChIInChI=1S/C21H25ClN2O3S2/c1-14(2)24-29(26,27)18-11-12-20(22)19(13-18)21(25)23-15-7-9-17(10-8-15)28-16-5-3-4-6-16/h7-14,16,24H,3-6H2,1-2H3,(H,23,25)
InChIKeyXWXOMNQPKAZDND-UHFFFAOYSA-N
XLogP5.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.03
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)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

N-(4-tert-butylphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 34756542
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
CID 55965539
N-(3-acetamido-4-methoxyphenyl)-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24666791
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
4-chloro-N-(4-cyclopentylsulfanylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46600086
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 86956514
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide (CID 46598242) is 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(SC3CCCC3)cc2)c1.
What is the InChIKey of 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is XWXOMNQPKAZDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S2/c1-14(2)24-29(26,27)18-11-12-20(22)19(13-18)21(25)23-15-7-9-17(10-8-15)28-16-5-3-4-6-16/h7-14,16,24H,3-6H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 453.03 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyclopentylsulfanylphenyl)-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46598242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).