N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide

C16H18ClN3O3S — CID 13322356

IUPACN-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-19(2)24(22,23)20(3)15-10-4-12(5-11-15)16(21)18-14-8-6-13(17)7-9-14/h4-11H,1-3H3,(H,18,21)
InChIKeyKPTLOFXFTVCOSQ-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.83
Rot. Bonds5

About N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide

N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide (PubChem CID 13322356) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
PubChem CID13322356
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
SMILESCN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-19(2)24(22,23)20(3)15-10-4-12(5-11-15)16(21)18-14-8-6-13(17)7-9-14/h4-11H,1-3H3,(H,18,21)
InChIKeyKPTLOFXFTVCOSQ-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[dimethylsulfamoyl(methyl)amino]-N-(4-propan-2-ylphenyl)benzamide
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4-[dimethylsulfamoyl(methyl)amino]-N-phenylbenzamide
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4-[dimethylsulfamoyl(methyl)amino]-N-(4-ethylphenyl)benzamide
CID 53283203
N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664148
4-[dimethylsulfamoyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100504301
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891082
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92663766
N-(3-acetylphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664202
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92642400
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethylphenyl)benzamide
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4-[dimethylsulfamoyl(methyl)amino]-N-(2-fluorophenyl)benzamide
CID 53283277

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide (CID 13322356) is N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide is CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
The InChIKey is KPTLOFXFTVCOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-19(2)24(22,23)20(3)15-10-4-12(5-11-15)16(21)18-14-8-6-13(17)7-9-14/h4-11H,1-3H3,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide?
N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide has a molecular weight of 367.86 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide is sourced from PubChem (CID 13322356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).