N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide

C15H14ClNO3S — CID 8913728

IUPACN-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1
InChIInChI=1S/C15H14ClNO3S/c1-10-4-3-5-11(8-10)15(18)17-14-9-12(21(2,19)20)6-7-13(14)16/h3-9H,1-2H3,(H,17,18)
InChIKeyRSMVJWAOPQTMCT-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.30
Rot. Bonds3

About N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide

N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide (PubChem CID 8913728) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
PubChem CID8913728
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1
InChIInChI=1S/C15H14ClNO3S/c1-10-4-3-5-11(8-10)15(18)17-14-9-12(21(2,19)20)6-7-13(14)16/h3-9H,1-2H3,(H,17,18)
InChIKeyRSMVJWAOPQTMCT-UHFFFAOYSA-N
XLogP3.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 31930381
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
(E)-N-(2-chloro-5-methylsulfonylphenyl)-3-(2,4-dimethylphenyl)prop-2-enamide
CID 17413794
N-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
2-chloro-N-[1-(3-methylphenyl)ethyl]-5-methylsulfonylaniline
CID 43780658
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
CID 16773286
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
N-(2-chloro-5-methylsulfonylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973961

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide (CID 8913728) is N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide?
The InChIKey is RSMVJWAOPQTMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-10-4-3-5-11(8-10)15(18)17-14-9-12(21(2,19)20)6-7-13(14)16/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide?
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide has a molecular weight of 323.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide is sourced from PubChem (CID 8913728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).