4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid

C14H12FNO4S — CID 63000199

IUPAC4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C14H12FNO4S/c1-9-4-2-3-5-13(9)21(19,20)16-12-8-10(14(17)18)6-7-11(12)15/h2-8,16H,1H3,(H,17,18)
InChIKeyPYVKVDZVAMZPJY-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.63
Rot. Bonds4

About 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid

4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 63000199) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
PubChem CID63000199
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C14H12FNO4S/c1-9-4-2-3-5-13(9)21(19,20)16-12-8-10(14(17)18)6-7-11(12)15/h2-8,16H,1H3,(H,17,18)
InChIKeyPYVKVDZVAMZPJY-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-(4-fluorophenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 46291912
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 103099646
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 110362709
4-chloro-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 62999668
3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid
CID 60532983
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 46291945
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-fluorobenzoic acid
CID 51099437

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid (CID 63000199) is 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid is Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is PYVKVDZVAMZPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-9-4-2-3-5-13(9)21(19,20)16-12-8-10(14(17)18)6-7-11(12)15/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid?
4-fluoro-3-[(2-methylphenyl)sulfonylamino]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-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 63000199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).