4-[(2-methylphenyl)sulfamoyl]butanoic acid

C11H15NO4S — CID 28513713

IUPAC4-[(2-methylphenyl)sulfamoyl]butanoic acid
SMILESCc1ccccc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H15NO4S/c1-9-5-2-3-6-10(9)12-17(15,16)8-4-7-11(13)14/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14)
InChIKeyOKOAMNNPULPCCP-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.60
Rot. Bonds6

About 4-[(2-methylphenyl)sulfamoyl]butanoic acid

4-[(2-methylphenyl)sulfamoyl]butanoic acid (PubChem CID 28513713) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[(2-methylphenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylphenyl)sulfamoyl]butanoic acid
PubChem CID28513713
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-[(2-methylphenyl)sulfamoyl]butanoic acid
SMILESCc1ccccc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H15NO4S/c1-9-5-2-3-6-10(9)12-17(15,16)8-4-7-11(13)14/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14)
InChIKeyOKOAMNNPULPCCP-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
CID 28773802
4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid
CID 43699845
N-(2-methylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974110
4-[(2-methyl-4-nitrophenyl)sulfamoyl]butanoic acid
CID 43712843
4-[[2-(dimethylamino)-3-pyridinyl]sulfamoyl]butanoic acid
CID 43710941
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 43361847
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919
4-[[2-(tetrazol-1-yl)phenyl]sulfamoyl]butanoic acid
CID 43710270
4-[[2-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]butanoic acid
CID 43711492
4-[(2-cyano-3-fluorophenyl)sulfamoyl]butanoic acid
CID 43580600
4-[(2,4-dimethyl-5-nitrophenyl)sulfamoyl]butanoic acid
CID 104757308
5-[2-(2-methylphenyl)hydrazinyl]-5-oxopentanoic acid
CID 143636420

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-methylphenyl)sulfamoyl]butanoic acid (CID 28513713) is 4-[(2-methylphenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-methylphenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-methylphenyl)sulfamoyl]butanoic acid is Cc1ccccc1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(2-methylphenyl)sulfamoyl]butanoic acid?
The InChIKey is OKOAMNNPULPCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-9-5-2-3-6-10(9)12-17(15,16)8-4-7-11(13)14/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14).
What are the key properties of 4-[(2-methylphenyl)sulfamoyl]butanoic acid?
4-[(2-methylphenyl)sulfamoyl]butanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28513713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).