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

C19H23ClN2O3S — CID 109064737

IUPACN-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14(2)10-11-22-26(24,25)17-8-5-7-15(12-17)19(23)21-13-16-6-3-4-9-18(16)20/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyBYFPEMSPXJFOSS-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.59
Rot. Bonds8

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

N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109064737) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
PubChem CID109064737
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-14(2)10-11-22-26(24,25)17-8-5-7-15(12-17)19(23)21-13-16-6-3-4-9-18(16)20/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyBYFPEMSPXJFOSS-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]-4-(3-methylbutylsulfamoyl)benzamide
CID 109060799
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
N-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065274
3-(3-methylbutylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 109065280
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109064177
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide (CID 109064737) is N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide is CC(C)CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is BYFPEMSPXJFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14(2)10-11-22-26(24,25)17-8-5-7-15(12-17)19(23)21-13-16-6-3-4-9-18(16)20/h3-9,12,14,22H,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(3-methylbutylsulfamoyl)benzamide?
N-[(2-chlorophenyl)methyl]-3-(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]-3-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109064737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).