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

C14H12FNO4S — CID 2329150

IUPAC4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12FNO4S/c1-9-8-11(15)4-7-13(9)21(19,20)16-12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyCLSQZYJXLKEAAT-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.63
Rot. Bonds4

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

4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 2329150) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
PubChem CID2329150
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H12FNO4S/c1-9-8-11(15)4-7-13(9)21(19,20)16-12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyCLSQZYJXLKEAAT-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-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 86976041
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 9336358
4-[(4-fluorophenyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997583
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
1-cyclopropyl-3-[4-[(4-fluoro-2-methylphenyl)sulfonylamino]phenyl]urea
CID 134017661
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 27476815
4-[(5-amino-2-methylphenyl)sulfonylamino]benzoic acid
CID 14113757
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
4-[(2-methyl-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 50876036
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24656490

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid (CID 2329150) is 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is CLSQZYJXLKEAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-9-8-11(15)4-7-13(9)21(19,20)16-12-5-2-10(3-6-12)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid?
4-[(4-fluoro-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-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 2329150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).