N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide

C19H23ClN2O3S — CID 109060799

IUPACN-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-14(2)11-12-22-26(24,25)17-9-7-15(8-10-17)19(23)21-13-16-5-3-4-6-18(16)20/h3-10,14,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyIMVJBYRFLDYNTJ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.59
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide

N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109060799) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
PubChem CID109060799
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-14(2)11-12-22-26(24,25)17-9-7-15(8-10-17)19(23)21-13-16-5-3-4-6-18(16)20/h3-10,14,22H,11-13H2,1-2H3,(H,21,23)
InChIKeyIMVJBYRFLDYNTJ-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241
N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109060624
N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
CID 109061010
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
CID 109061117
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide (CID 109060799) is N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide is CC(C)CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is IMVJBYRFLDYNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14(2)11-12-22-26(24,25)17-9-7-15(8-10-17)19(23)21-13-16-5-3-4-6-18(16)20/h3-10,14,22H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide?
N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.59, 8 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-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109060799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).