3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid

C13H9ClFNO4S — CID 891461

IUPAC3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H9ClFNO4S/c14-9-3-1-2-4-11(9)16-21(19,20)12-7-8(13(17)18)5-6-10(12)15/h1-7,16H,(H,17,18)
InChIKeyMQULHZQYCUTCFZ-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.98
Rot. Bonds4

About 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid

3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid (PubChem CID 891461) has the molecular formula C13H9ClFNO4S and a molecular weight of 329.74 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid
PubChem CID891461
Molecular FormulaC13H9ClFNO4S
Molecular Weight329.74 g/mol
Exact Mass328.99
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H9ClFNO4S/c14-9-3-1-2-4-11(9)16-21(19,20)12-7-8(13(17)18)5-6-10(12)15/h1-7,16H,(H,17,18)
InChIKeyMQULHZQYCUTCFZ-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

Benzoic acid, 2-((phenylsulfonyl)amino)-
CID 36941
3-((2-Chlorophenyl)sulfamoyl)benzoic acid
CID 699751
3-[Benzyl(4-fluorophenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3688235
4-Benzenesulfonamidobenzoic acid
CID 506053
2-(4-Chlorobenzenesulfonamido)-5-methylbenzoic acid
CID 1400162
4-[(3-Chloro-4-fluorophenyl)sulfamoyl]benzoic acid
CID 665205
Benzoic acid, 2-(((4-fluorophenyl)sulfonyl)amino)-
CID 39853
4-(((4-Chlorophenyl)sulfonyl)amino)benzoic acid
CID 39854
2-(([3-(Trifluoromethyl)phenyl]sulfonyl)amino)benzoic acid
CID 2062366
3-[Benzyl(2-chlorophenyl)sulfamoyl]benzoic acid
CID 2385977
3-Benzenesulfonamidobenzoic acid
CID 792201
4-[(4-Methylphenyl)sulfamoyl]benzoic acid
CID 2403526

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid (CID 891461) is 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid is O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid?
The InChIKey is MQULHZQYCUTCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4S/c14-9-3-1-2-4-11(9)16-21(19,20)12-7-8(13(17)18)5-6-10(12)15/h1-7,16H,(H,17,18).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid?
3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic 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 3-[(2-chlorophenyl)sulfamoyl]-4-fluorobenzoic acid is sourced from PubChem (CID 891461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).