3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C16H18N2O3S — CID 53278713

IUPAC3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2C)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-14(8-5-11)22(20,21)18(3)15-9-6-13(16(17)19)10-12(15)2/h4-10H,1-3H3,(H2,17,19)
InChIKeyRCOLXMGZGGKKBV-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.23
Rot. Bonds4

About 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 53278713) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID53278713
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2C)cc1
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-14(8-5-11)22(20,21)18(3)15-9-6-13(16(17)19)10-12(15)2/h4-10H,1-3H3,(H2,17,19)
InChIKeyRCOLXMGZGGKKBV-UHFFFAOYSA-N
XLogP2.23
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid
CID 100552827
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide
CID 50946608
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
N-[4-bromo-2-(4-chlorobenzoyl)phenyl]-N,4-dimethylbenzenesulfonamide
CID 3963233
5-[(2,4-dimethylphenyl)-methylsulfamoyl]-2-fluorobenzoic acid
CID 71890309
3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methylbenzoic acid
CID 100553005
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide
CID 132672717
3-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 53279414
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 55244982

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 53278713) is 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(N)=O)cc2C)cc1.
What is the InChIKey of 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is RCOLXMGZGGKKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-4-7-14(8-5-11)22(20,21)18(3)15-9-6-13(16(17)19)10-12(15)2/h4-10H,1-3H3,(H2,17,19).
What are the key properties of 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 53278713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).