N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide

C21H19ClN2O3S — CID 130431453

IUPACN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2O3S/c22-19-6-4-5-18(13-19)21(25)23-14-16-9-11-17(12-10-16)15-24-28(26,27)20-7-2-1-3-8-20/h1-13,24H,14-15H2,(H,23,25)
InChIKeyJRAQRUQHTVPHFE-UHFFFAOYSA-N
MW414.91 g/mol
LogP3.75
Rot. Bonds7

About N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide (PubChem CID 130431453) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
PubChem CID130431453
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2O3S/c22-19-6-4-5-18(13-19)21(25)23-14-16-9-11-17(12-10-16)15-24-28(26,27)20-7-2-1-3-8-20/h1-13,24H,14-15H2,(H,23,25)
InChIKeyJRAQRUQHTVPHFE-UHFFFAOYSA-N
XLogP3.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-[(4-chlorophenyl)methylcarbamoyl]benzenesulfonyl chloride
CID 110823511
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
N-[(4-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565294
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
3-[(4-methylphenyl)methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064600
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-[4-(benzylsulfamoyl)phenyl]-N-(3-chlorophenyl)benzamide
CID 46385848
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide?
The IUPAC name of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide (CID 130431453) is N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide.
What is the SMILES notation for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide?
The canonical SMILES for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide?
The InChIKey is JRAQRUQHTVPHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c22-19-6-4-5-18(13-19)21(25)23-14-16-9-11-17(12-10-16)15-24-28(26,27)20-7-2-1-3-8-20/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide?
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide has a molecular weight of 414.91 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide is sourced from PubChem (CID 130431453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).