3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide

C19H23ClN2O3S — CID 109064739

IUPAC3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-12-22(2)26(24,25)17-10-7-9-15(13-17)19(23)21-14-16-8-5-6-11-18(16)20/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKeyQFOMREVUSIVFOZ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.69
Rot. Bonds8

About 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide

3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide (PubChem CID 109064739) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide
PubChem CID109064739
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-3-4-12-22(2)26(24,25)17-10-7-9-15(13-17)19(23)21-14-16-8-5-6-11-18(16)20/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChIKeyQFOMREVUSIVFOZ-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
CID 109064737
3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
CID 109065487
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
1-[4-[butyl(methyl)sulfamoyl]phenyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 47081340
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide?
The IUPAC name of 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide (CID 109064739) is 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide?
The canonical SMILES for 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide is CCCCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide?
The InChIKey is QFOMREVUSIVFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-4-12-22(2)26(24,25)17-10-7-9-15(13-17)19(23)21-14-16-8-5-6-11-18(16)20/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23).
What are the key properties of 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide?
3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 109064739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).