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

C11H14FNO4S — CID 28773802

IUPAC4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
SMILESCc1cc(F)ccc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H14FNO4S/c1-8-7-9(12)4-5-10(8)13-18(16,17)6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyCTRINMDTCKREFJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.74
Rot. Bonds6

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

4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid (PubChem CID 28773802) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
PubChem CID28773802
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid
SMILESCc1cc(F)ccc1NS(=O)(=O)CCCC(=O)O
InChIInChI=1S/C11H14FNO4S/c1-8-7-9(12)4-5-10(8)13-18(16,17)6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3,(H,14,15)
InChIKeyCTRINMDTCKREFJ-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
4-[[2-methyl-4-(methylcarbamoyl)phenyl]sulfamoyl]butanoic acid
CID 43699845
4-[(2-methylphenyl)sulfamoyl]butanoic acid
CID 28513713
4-[(2-methyl-4-nitrophenyl)sulfamoyl]butanoic acid
CID 43712843
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
4-[(2,4-dimethyl-5-nitrophenyl)sulfamoyl]butanoic acid
CID 104757308
4-[(2,4-dibromophenyl)sulfamoyl]butanoic acid
CID 43705525
3-[(4-fluoro-2-nitrophenyl)sulfamoyl]propanoic acid
CID 43361967
3-[(5-fluoro-2-methoxycarbonylphenyl)sulfamoyl]propanoic acid
CID 43716819
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid (CID 28773802) is 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid is Cc1cc(F)ccc1NS(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid?
The InChIKey is CTRINMDTCKREFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-8-7-9(12)4-5-10(8)13-18(16,17)6-2-3-11(14)15/h4-5,7,13H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid?
4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylphenyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 28773802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).