3-fluoro-4-(phenylsulfamoyl)benzoic acid

C13H10FNO4S — CID 79040936

IUPAC3-fluoro-4-(phenylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C13H10FNO4S/c14-11-8-9(13(16)17)6-7-12(11)20(18,19)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17)
InChIKeyPZVAWXPWTLUIDI-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.32
Rot. Bonds4

About 3-fluoro-4-(phenylsulfamoyl)benzoic acid

3-fluoro-4-(phenylsulfamoyl)benzoic acid (PubChem CID 79040936) has the molecular formula C13H10FNO4S and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-fluoro-4-(phenylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-(phenylsulfamoyl)benzoic acid
PubChem CID79040936
Molecular FormulaC13H10FNO4S
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name3-fluoro-4-(phenylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccccc2)c(F)c1
InChIInChI=1S/C13H10FNO4S/c14-11-8-9(13(16)17)6-7-12(11)20(18,19)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17)
InChIKeyPZVAWXPWTLUIDI-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

3-fluoro-4-(1,2-oxazol-4-ylsulfamoyl)benzoic acid
CID 79040867
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
4-[2-[4-[(2-fluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689846
3-(phenylsulfamoyl)-4-propan-2-ylbenzoic acid
CID 56797596
3-[[2,4-difluoro-5-(phenylcarbamoyl)phenyl]sulfonylamino]benzoic acid
CID 142738865
3-(phenylsulfamoyl)-4-(propan-2-ylamino)benzoic acid
CID 99980018
4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid
CID 104856668
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 79187066
4-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-3-fluorobenzoic acid
CID 79177691
3-fluoro-4-(2-pyrrol-1-ylethylsulfamoyl)benzoic acid
CID 106390664

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(phenylsulfamoyl)benzoic acid?
The IUPAC name of 3-fluoro-4-(phenylsulfamoyl)benzoic acid (CID 79040936) is 3-fluoro-4-(phenylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-fluoro-4-(phenylsulfamoyl)benzoic acid?
The canonical SMILES for 3-fluoro-4-(phenylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(phenylsulfamoyl)benzoic acid?
The InChIKey is PZVAWXPWTLUIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4S/c14-11-8-9(13(16)17)6-7-12(11)20(18,19)15-10-4-2-1-3-5-10/h1-8,15H,(H,16,17).
What are the key properties of 3-fluoro-4-(phenylsulfamoyl)benzoic acid?
3-fluoro-4-(phenylsulfamoyl)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 3-fluoro-4-(phenylsulfamoyl)benzoic acid is sourced from PubChem (CID 79040936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).