N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide

C17H18ClNO3S — CID 27838781

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3S/c1-23(21,22)12-14-5-2-6-15(10-14)17(20)19-9-8-13-4-3-7-16(18)11-13/h2-7,10-11H,8-9,12H2,1H3,(H,19,20)
InChIKeyCMJXKMMUJSDYEQ-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide

N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 27838781) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID27838781
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3S/c1-23(21,22)12-14-5-2-6-15(10-14)17(20)19-9-8-13-4-3-7-16(18)11-13/h2-7,10-11H,8-9,12H2,1H3,(H,19,20)
InChIKeyCMJXKMMUJSDYEQ-UHFFFAOYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
N-[2-(3-chlorophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31251417
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide
CID 55895232
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836975

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide (CID 27838781) is N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is CMJXKMMUJSDYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-23(21,22)12-14-5-2-6-15(10-14)17(20)19-9-8-13-4-3-7-16(18)11-13/h2-7,10-11H,8-9,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide?
N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 351.86 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 27838781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).