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

C14H10Cl2FNO4S — CID 154748258

IUPAC3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
SMILESCN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2FNO4S/c1-18(11-5-3-2-4-10(11)17)23(21,22)12-7-8(14(19)20)6-9(15)13(12)16/h2-7H,1H3,(H,19,20)
InChIKeyWPCXPNGZOGNVLR-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.66
Rot. Bonds4

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

3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid (PubChem CID 154748258) has the molecular formula C14H10Cl2FNO4S and a molecular weight of 378.21 g/mol. Its IUPAC name is 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
PubChem CID154748258
Molecular FormulaC14H10Cl2FNO4S
Molecular Weight378.21 g/mol
Exact Mass376.97
IUPAC Name3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
SMILESCN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2FNO4S/c1-18(11-5-3-2-4-10(11)17)23(21,22)12-7-8(14(19)20)6-9(15)13(12)16/h2-7H,1H3,(H,19,20)
InChIKeyWPCXPNGZOGNVLR-UHFFFAOYSA-N
XLogP3.66
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154747396
3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 2380504
3-fluoro-5-[(2-methoxyphenyl)-methylsulfamoyl]-4-methylbenzoic acid
CID 56799726
4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 60596902
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 51127103
2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 103988558
3,4-dichloro-5-fluorobenzoic acid
CID 50997844
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178765
4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid
CID 86807747
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone
CID 62909843

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid?
The IUPAC name of 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid (CID 154748258) is 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid?
The canonical SMILES for 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid is CN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)O)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid?
The InChIKey is WPCXPNGZOGNVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO4S/c1-18(11-5-3-2-4-10(11)17)23(21,22)12-7-8(14(19)20)6-9(15)13(12)16/h2-7H,1H3,(H,19,20).
What are the key properties of 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid?
3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid has a molecular weight of 378.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 154748258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).