4-[(4-fluorophenyl)sulfamoyl]benzoic acid

C13H10FNO4S — CID 2345459

IUPAC4-[(4-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H10FNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyTXOQYCWPOYXFKW-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.32
Rot. Bonds4

About 4-[(4-fluorophenyl)sulfamoyl]benzoic acid

4-[(4-fluorophenyl)sulfamoyl]benzoic acid (PubChem CID 2345459) has the molecular formula C13H10FNO4S and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfamoyl]benzoic acid
PubChem CID2345459
Molecular FormulaC13H10FNO4S
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name4-[(4-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C13H10FNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17)
InChIKeyTXOQYCWPOYXFKW-UHFFFAOYSA-N
XLogP2.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
N-[4-(2-bromoacetyl)phenyl]-4-fluorobenzenesulfonamide
CID 4737379
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzoic acid
CID 79041528
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24580861
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]benzoic acid (CID 2345459) is 4-[(4-fluorophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(4-fluorophenyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfamoyl]benzoic acid?
The InChIKey is TXOQYCWPOYXFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4S/c14-10-3-5-11(6-4-10)15-20(18,19)12-7-1-9(2-8-12)13(16)17/h1-8,15H,(H,16,17).
What are the key properties of 4-[(4-fluorophenyl)sulfamoyl]benzoic acid?
4-[(4-fluorophenyl)sulfamoyl]benzoic acid has a molecular weight of 295.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2345459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).