N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide

C17H19ClN2O3S — CID 31991118

IUPACN-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-7-14(10-16(12)19-24(3,22)23)17(21)20(2)11-13-5-8-15(18)9-6-13/h4-10,19H,11H2,1-3H3
InChIKeyPFZQJMHZEDJJFI-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.29
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide

N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide (PubChem CID 31991118) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
PubChem CID31991118
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H19ClN2O3S/c1-12-4-7-14(10-16(12)19-24(3,22)23)17(21)20(2)11-13-5-8-15(18)9-6-13/h4-10,19H,11H2,1-3H3
InChIKeyPFZQJMHZEDJJFI-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 63213909
4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 28568554
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 25335554
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
N-[5-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 55544586
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide (CID 31991118) is N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide?
The InChIKey is PFZQJMHZEDJJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12-4-7-14(10-16(12)19-24(3,22)23)17(21)20(2)11-13-5-8-15(18)9-6-13/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide?
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide is sourced from PubChem (CID 31991118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).