N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide

C17H19ClN2O3S — CID 109057991

IUPACN-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-11-20-24(22,23)15-9-7-13(8-10-15)17(21)19-12-14-5-3-4-6-16(14)18/h3-10,20H,2,11-12H2,1H3,(H,19,21)
InChIKeyKCDWEQZQYQVUFP-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.96
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide

N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide (PubChem CID 109057991) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
PubChem CID109057991
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-11-20-24(22,23)15-9-7-13(8-10-15)17(21)19-12-14-5-3-4-6-16(14)18/h3-10,20H,2,11-12H2,1H3,(H,19,21)
InChIKeyKCDWEQZQYQVUFP-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
CID 109060799
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241
N-(2-ethylphenyl)-4-(propylsulfamoyl)benzamide
CID 109058046
N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575
N-(2-chlorophenyl)-4-(pentylsulfamoyl)benzamide
CID 109061392
N-[(2-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26692000
4-acetyl-N-propylbenzenesulfonamide
CID 2064043

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide (CID 109057991) is N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide?
The InChIKey is KCDWEQZQYQVUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-2-11-20-24(22,23)15-9-7-13(8-10-15)17(21)19-12-14-5-3-4-6-16(14)18/h3-10,20H,2,11-12H2,1H3,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide?
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide has a molecular weight of 366.87 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 109057991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).