4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid

C13H10FNO5S — CID 60827855

IUPAC4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C13H10FNO5S/c14-9-2-4-10(5-3-9)21(19,20)15-11-6-1-8(13(17)18)7-12(11)16/h1-7,15-16H,(H,17,18)
InChIKeyZQASRDPCCONVSB-UHFFFAOYSA-N
MW311.29 g/mol
LogP2.03
Rot. Bonds4

About 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid

4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid (PubChem CID 60827855) has the molecular formula C13H10FNO5S and a molecular weight of 311.29 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
PubChem CID60827855
Molecular FormulaC13H10FNO5S
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C13H10FNO5S/c14-9-2-4-10(5-3-9)21(19,20)15-11-6-1-8(13(17)18)7-12(11)16/h1-7,15-16H,(H,17,18)
InChIKeyZQASRDPCCONVSB-UHFFFAOYSA-N
XLogP2.03
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
4-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 108783441
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
CID 8501109
5-[[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 25352849
3-[(4-fluorophenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292418
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
3-hydroxy-4-(propan-2-ylsulfonylamino)benzoic acid
CID 60858137
4-acetyl-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 82165414
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
tert-butyl 3-hydroxy-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372622

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid (CID 60827855) is 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(O)c1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid?
The InChIKey is ZQASRDPCCONVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO5S/c14-9-2-4-10(5-3-9)21(19,20)15-11-6-1-8(13(17)18)7-12(11)16/h1-7,15-16H,(H,17,18).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid?
4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid has a molecular weight of 311.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid is sourced from PubChem (CID 60827855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).