3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid

C13H8Cl2FNO4S — CID 2380504

IUPAC3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C13H8Cl2FNO4S/c14-8-5-7(13(18)19)6-11(12(8)15)22(20,21)17-10-4-2-1-3-9(10)16/h1-6,17H,(H,18,19)
InChIKeyHZORXQOWKAVIHD-UHFFFAOYSA-N
MW364.18 g/mol
LogP3.63
Rot. Bonds4

About 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid

3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid (PubChem CID 2380504) has the molecular formula C13H8Cl2FNO4S and a molecular weight of 364.18 g/mol. Its IUPAC name is 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
PubChem CID2380504
Molecular FormulaC13H8Cl2FNO4S
Molecular Weight364.18 g/mol
Exact Mass362.95
IUPAC Name3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C13H8Cl2FNO4S/c14-8-5-7(13(18)19)6-11(12(8)15)22(20,21)17-10-4-2-1-3-9(10)16/h1-6,17H,(H,18,19)
InChIKeyHZORXQOWKAVIHD-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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Related Compounds

3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78843133
3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
CID 146545712
3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154748258
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
2-[(2,5-dichlorophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 51116002
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195
3-[(2,6-difluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71941450

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid (CID 2380504) is 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid is O=C(O)c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid?
The InChIKey is HZORXQOWKAVIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO4S/c14-8-5-7(13(18)19)6-11(12(8)15)22(20,21)17-10-4-2-1-3-9(10)16/h1-6,17H,(H,18,19).
What are the key properties of 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid?
3,4-dichloro-5-[(2-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 3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2380504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).