N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

C17H18ClNO3S — CID 31987355

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C17H18ClNO3S/c1-19(11-13-5-9-16(18)10-6-13)17(20)15-7-3-14(4-8-15)12-23(2,21)22/h3-10H,11-12H2,1-2H3
InChIKeyMFKRYXMATFWCAO-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.16
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide

N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide (PubChem CID 31987355) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
PubChem CID31987355
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C17H18ClNO3S/c1-19(11-13-5-9-16(18)10-6-13)17(20)15-7-3-14(4-8-15)12-23(2,21)22/h3-10H,11-12H2,1-2H3
InChIKeyMFKRYXMATFWCAO-UHFFFAOYSA-N
XLogP3.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(methylsulfonylmethyl)benzamide
CID 26619242
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 9183059
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 46772102
N-[(4-chlorophenyl)methyl]-4-[[N-(dimethylsulfamoyl)-2-fluoroanilino]methyl]-N-methylbenzamide
CID 99950497
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
N-benzyl-N-(5-chloro-2-cyanophenyl)-4-(methylsulfonylmethyl)benzamide
CID 86895858
N-[(4-chlorophenyl)methyl]-N-methyl-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 99956135

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide (CID 31987355) is N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
The InChIKey is MFKRYXMATFWCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-19(11-13-5-9-16(18)10-6-13)17(20)15-7-3-14(4-8-15)12-23(2,21)22/h3-10H,11-12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide?
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide has a molecular weight of 351.86 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 31987355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).