N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide

C16H16ClNO3S — CID 26087165

IUPACN-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-10-5-7-13(22(3,20)21)9-14(10)16(19)18-12-6-4-11(2)15(17)8-12/h4-9H,1-3H3,(H,18,19)
InChIKeyVYLPNDIRWNAADZ-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.61
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide

N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 26087165) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID26087165
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-10-5-7-13(22(3,20)21)9-14(10)16(19)18-12-6-4-11(2)15(17)8-12/h4-9H,1-3H3,(H,18,19)
InChIKeyVYLPNDIRWNAADZ-UHFFFAOYSA-N
XLogP3.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
N-(3-chloro-4-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968879
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-(3-chloro-4-methylphenyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46674398
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 55677538
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide (CID 26087165) is N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is VYLPNDIRWNAADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-10-5-7-13(22(3,20)21)9-14(10)16(19)18-12-6-4-11(2)15(17)8-12/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide?
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 337.83 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 26087165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).