4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid

C14H12FNO4S — CID 62811238

IUPAC4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1F
InChIInChI=1S/C14H12FNO4S/c1-9-8-11(4-7-13(9)15)16-21(19,20)12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyVCQCUZFQQTXBTK-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.63
Rot. Bonds4

About 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid

4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 62811238) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
PubChem CID62811238
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1F
InChIInChI=1S/C14H12FNO4S/c1-9-8-11(4-7-13(9)15)16-21(19,20)12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyVCQCUZFQQTXBTK-UHFFFAOYSA-N
XLogP2.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 62812698
4-[(4-bromo-3-fluorophenyl)sulfamoyl]benzoic acid
CID 65436899
S-[2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]-2-oxoethyl] ethanethioate
CID 11603343
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzoic acid
CID 79041528
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 62811091
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
4-[(4-iodo-3-methylphenyl)sulfonylamino]benzoic acid
CID 71671368
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid (CID 62811238) is 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)ccc1F.
What is the InChIKey of 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is VCQCUZFQQTXBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-9-8-11(4-7-13(9)15)16-21(19,20)12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid?
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid has a molecular weight of 309.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 62811238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).