2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide

C12H18N2O5S2 — CID 62045621

IUPAC2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C12H18N2O5S2/c1-8-6-9(2)11(21(13,18)19)7-10(8)12(15)14-4-5-20(3,16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,13,18,19)
InChIKeyFHOJCFBNYWXIML-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.27
Rot. Bonds5

About 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide

2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide (PubChem CID 62045621) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
PubChem CID62045621
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCS(C)(=O)=O
InChIInChI=1S/C12H18N2O5S2/c1-8-6-9(2)11(21(13,18)19)7-10(8)12(15)14-4-5-20(3,16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,13,18,19)
InChIKeyFHOJCFBNYWXIML-UHFFFAOYSA-N
XLogP-0.27
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-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

N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
CID 51127734
2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 62922364
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
2-hydroxy-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54934799
N-cyclopentyl-2,4-dimethyl-5-sulfamoylbenzamide
CID 47469038
3-chloro-2-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 107100939
5-(2-methoxyethylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65368514
3-methyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide
CID 65386461
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 102705513
4-fluoro-2-hydroxy-N-(2-methylsulfonylethyl)benzamide
CID 113304549

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide (CID 62045621) is 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide is Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCS(C)(=O)=O.
What is the InChIKey of 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
The InChIKey is FHOJCFBNYWXIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-8-6-9(2)11(21(13,18)19)7-10(8)12(15)14-4-5-20(3,16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H2,13,18,19).
What are the key properties of 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide?
2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide has a molecular weight of 334.42 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methylsulfonylethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 62045621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).