N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide

C16H17ClN2O3S — CID 171794388

IUPACN-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11-8-14(17)7-6-13(11)10-19-16(20)12-4-3-5-15(9-12)23(21,22)18-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyKZBANKAVROGLEL-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.49
Rot. Bonds5

About N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide

N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide (PubChem CID 171794388) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide
PubChem CID171794388
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClN2O3S/c1-11-8-14(17)7-6-13(11)10-19-16(20)12-4-3-5-15(9-12)23(21,22)18-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyKZBANKAVROGLEL-UHFFFAOYSA-N
XLogP2.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553753
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745
N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 109062606
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657069
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide (CID 171794388) is N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is KZBANKAVROGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-8-14(17)7-6-13(11)10-19-16(20)12-4-3-5-15(9-12)23(21,22)18-2/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide?
N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 352.84 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 171794388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).