4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide

C16H16ClNO3S — CID 26894430

IUPAC4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C16H16ClNO3S/c1-10-5-4-6-11(2)15(10)18-16(19)12-7-8-13(17)14(9-12)22(3,20)21/h4-9H,1-3H3,(H,18,19)
InChIKeyDMAIHJOZJSJQBS-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide

4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide (PubChem CID 26894430) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
PubChem CID26894430
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1
InChIInChI=1S/C16H16ClNO3S/c1-10-5-4-6-11(2)15(10)18-16(19)12-7-8-13(17)14(9-12)22(3,20)21/h4-9H,1-3H3,(H,18,19)
InChIKeyDMAIHJOZJSJQBS-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

4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
CID 51158895
4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786544
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 115629937
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
4-chloro-N-(4-fluoro-2-methylphenyl)-3-methylsulfonylbenzamide
CID 26886366
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
N-(2,6-dimethylphenyl)-4-methylsulfonylbenzamide
CID 14500553
4-chloro-3-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927700
N-(4-bromo-2-chlorophenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26239627
4-chloro-N-(2-methyl-6-propan-2-ylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1253800
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2347442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide (CID 26894430) is 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide is Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide?
The InChIKey is DMAIHJOZJSJQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-10-5-4-6-11(2)15(10)18-16(19)12-7-8-13(17)14(9-12)22(3,20)21/h4-9H,1-3H3,(H,18,19).
What are the key properties of 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide?
4-chloro-N-(2,6-dimethylphenyl)-3-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 4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 26894430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).