4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid

C11H14N2O5S — CID 106341777

IUPAC4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c1-12-19(17,18)7-6-13-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyBUZKBIZWUJRGLV-UHFFFAOYSA-N
MW286.31 g/mol
LogP-0.34
Rot. Bonds6

About 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid

4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid (PubChem CID 106341777) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
PubChem CID106341777
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H14N2O5S/c1-12-19(17,18)7-6-13-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyBUZKBIZWUJRGLV-UHFFFAOYSA-N
XLogP-0.34
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797
4-(2-ethylsulfonylethylcarbamoyl)benzoic acid
CID 103790305
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341849
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
3,5-dimethoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 7619022
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730
N-[2-[[(2S)-butan-2-yl]sulfamoyl]ethyl]-4-fluorobenzamide
CID 7618375
6-[2-(methylsulfamoyl)ethylsulfamoyl]pyridine-3-carboxylic acid
CID 106334984
4-(3,3-dimethylbutylcarbamoyl)benzoic acid
CID 113227854
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid?
The IUPAC name of 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid (CID 106341777) is 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid is CNS(=O)(=O)CCNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid?
The InChIKey is BUZKBIZWUJRGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c1-12-19(17,18)7-6-13-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,12H,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid?
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid has a molecular weight of 286.31 g/mol, XLogP of -0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 106341777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).