4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid

C13H9ClFNO4S — CID 8501109

IUPAC4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H9ClFNO4S/c14-9-3-6-12(11(15)7-9)16-21(19,20)10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyDAURGWSALZIODC-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.98
Rot. Bonds4

About 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid

4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid (PubChem CID 8501109) has the molecular formula C13H9ClFNO4S and a molecular weight of 329.74 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
PubChem CID8501109
Molecular FormulaC13H9ClFNO4S
Molecular Weight329.74 g/mol
Exact Mass328.99
IUPAC Name4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H9ClFNO4S/c14-9-3-6-12(11(15)7-9)16-21(19,20)10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKeyDAURGWSALZIODC-UHFFFAOYSA-N
XLogP2.98
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(4-chlorophenyl)sulfonylamino]-5-fluorobenzoyl]amino]benzoic acid
CID 12017247
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43132318
3-fluoro-4-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 63190334
4-[(4-chloro-2-fluorophenyl)methylsulfonyl]benzoic acid
CID 114849298
4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 60827855
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
4-[(2-chloro-4-methoxyphenyl)sulfamoyl]benzoic acid
CID 56821059
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
sodium N-(4-chloro-2-fluorophenyl)sulfamate
CID 23674123
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid (CID 8501109) is 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid?
The InChIKey is DAURGWSALZIODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4S/c14-9-3-6-12(11(15)7-9)16-21(19,20)10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid?
4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid has a molecular weight of 329.74 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 8501109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).