2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid

C13H8Cl2FNO4S — CID 2325693

IUPAC2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FNO4S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)17-8-3-1-7(16)2-4-8/h1-6,17H,(H,18,19)
InChIKeyDLTMPHWJUYBJGY-UHFFFAOYSA-N
MW364.18 g/mol
LogP3.63
Rot. Bonds4

About 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid

2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid (PubChem CID 2325693) has the molecular formula C13H8Cl2FNO4S and a molecular weight of 364.18 g/mol. Its IUPAC name is 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid
PubChem CID2325693
Molecular FormulaC13H8Cl2FNO4S
Molecular Weight364.18 g/mol
Exact Mass362.95
IUPAC Name2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2FNO4S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)17-8-3-1-7(16)2-4-8/h1-6,17H,(H,18,19)
InChIKeyDLTMPHWJUYBJGY-UHFFFAOYSA-N
XLogP3.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid (CID 2325693) is 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid?
The InChIKey is DLTMPHWJUYBJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO4S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)17-8-3-1-7(16)2-4-8/h1-6,17H,(H,18,19).
What are the key properties of 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid has a molecular weight of 364.18 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2325693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).