2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide

C15H16N2O3S2 — CID 75431966

IUPAC2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide
SMILESCSc1cccc(NC(=O)c2cccc(S(N)(=O)=O)c2C)c1
InChIInChI=1S/C15H16N2O3S2/c1-10-13(7-4-8-14(10)22(16,19)20)15(18)17-11-5-3-6-12(9-11)21-2/h3-9H,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyAPRKHZZRYZTXDI-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.62
Rot. Bonds4

About 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide

2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide (PubChem CID 75431966) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide
PubChem CID75431966
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide
SMILESCSc1cccc(NC(=O)c2cccc(S(N)(=O)=O)c2C)c1
InChIInChI=1S/C15H16N2O3S2/c1-10-13(7-4-8-14(10)22(16,19)20)15(18)17-11-5-3-6-12(9-11)21-2/h3-9H,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyAPRKHZZRYZTXDI-UHFFFAOYSA-N
XLogP2.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18084982
5-amino-2-bromo-4-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 62816107
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439326
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide?
The IUPAC name of 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide (CID 75431966) is 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide is CSc1cccc(NC(=O)c2cccc(S(N)(=O)=O)c2C)c1.
What is the InChIKey of 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide?
The InChIKey is APRKHZZRYZTXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-13(7-4-8-14(10)22(16,19)20)15(18)17-11-5-3-6-12(9-11)21-2/h3-9H,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide?
2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 75431966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).