2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide

C16H17NO3S — CID 27334640

IUPAC2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1
InChIInChI=1S/C16H17NO3S/c1-11-7-8-15(12(2)9-11)16(18)17-13-5-4-6-14(10-13)21(3,19)20/h4-10H,1-3H3,(H,17,18)
InChIKeyZMQQPOWRMJDTIR-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.96
Rot. Bonds3

About 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide

2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 27334640) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
PubChem CID27334640
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1
InChIInChI=1S/C16H17NO3S/c1-11-7-8-15(12(2)9-11)16(18)17-13-5-4-6-14(10-13)21(3,19)20/h4-10H,1-3H3,(H,17,18)
InChIKeyZMQQPOWRMJDTIR-UHFFFAOYSA-N
XLogP2.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 9072159
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 104852044
2,4-dimethyl-N-[3-[methylsulfonyl(prop-2-enyl)amino]phenyl]benzamide
CID 100533374
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide (CID 27334640) is 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide is Cc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is ZMQQPOWRMJDTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-7-8-15(12(2)9-11)16(18)17-13-5-4-6-14(10-13)21(3,19)20/h4-10H,1-3H3,(H,17,18).
What are the key properties of 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide?
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide has a molecular weight of 303.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 27334640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).