3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C16H18N2O3S — CID 967593

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1
InChIInChI=1S/C16H18N2O3S/c1-10-4-5-11(2)14(8-10)18-22(20,21)15-9-13(16(17)19)7-6-12(15)3/h4-9,18H,1-3H3,(H2,17,19)
InChIKeyGXBHJZLXQCFXJQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.51
Rot. Bonds4

About 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 967593) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID967593
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1
InChIInChI=1S/C16H18N2O3S/c1-10-4-5-11(2)14(8-10)18-22(20,21)15-9-13(16(17)19)7-6-12(15)3/h4-9,18H,1-3H3,(H2,17,19)
InChIKeyGXBHJZLXQCFXJQ-UHFFFAOYSA-N
XLogP2.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfabenzamide
CID 5319
N-Sulfanilyl-3,4-xylamide
CID 67118
2-[[(4-Fluorophenyl)sulfonyl]amino]benzamide
CID 788806
4-methyl-N-phenyl-3-(phenylsulfamoyl)benzamide
CID 1246311
3-(azepan-1-ylsulfonyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 1250097
3-[(diethylamino)sulfonyl]-N-(3-methylphenyl)benzamide
CID 789345
2-(Benzenesulfonamido)benzamide
CID 807904
4-Methyl-N-phenyl-3-(piperidine-1-sulfonyl)-benzamide
CID 1144102
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
CID 2223246
4-(2,4,6-Trimethylbenzenesulfonamido)benzamide
CID 788808
2-Methyl-5-{[(2-methylphenyl)amino]sulfonyl}benzamide
CID 797060
4-Methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 967339

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 967593) is 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is GXBHJZLXQCFXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-4-5-11(2)14(8-10)18-22(20,21)15-9-13(16(17)19)7-6-12(15)3/h4-9,18H,1-3H3,(H2,17,19).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 967593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).