4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid

C14H10ClF2NO4S — CID 154747396

IUPAC4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
SMILESCN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl
InChIInChI=1S/C14H10ClF2NO4S/c1-18(12-5-3-2-4-10(12)16)23(21,22)13-6-8(14(19)20)11(17)7-9(13)15/h2-7H,1H3,(H,19,20)
InChIKeyODRUMCUIYYPCKO-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.14
Rot. Bonds4

About 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid

4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid (PubChem CID 154747396) has the molecular formula C14H10ClF2NO4S and a molecular weight of 361.75 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
PubChem CID154747396
Molecular FormulaC14H10ClF2NO4S
Molecular Weight361.75 g/mol
Exact Mass361.00
IUPAC Name4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
SMILESCN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl
InChIInChI=1S/C14H10ClF2NO4S/c1-18(12-5-3-2-4-10(12)16)23(21,22)13-6-8(14(19)20)11(17)7-9(13)15/h2-7H,1H3,(H,19,20)
InChIKeyODRUMCUIYYPCKO-UHFFFAOYSA-N
XLogP3.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154748258
5-[(2-fluorophenyl)-methylsulfamoyl]-2-hydroxy-4-methylbenzoic acid
CID 51127103
2-[(2-fluorophenyl)sulfonyl-methylamino]benzoic acid
CID 16773334
4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 60596902
2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 103988558
2,4-dichloro-5-[(2-hydroxyphenyl)-methylsulfamoyl]-N-phenylbenzamide
CID 26435626
5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-4-chloro-2-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 46852598
2,4-difluoro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 51099020
2-(benzylamino)-4-chloro-5-[methyl(phenyl)sulfamoyl]benzoic acid
CID 154099658
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonyl-methylamino]benzoic acid
CID 80577082
4-chloro-5-(2,3-dimethylbutanoyl)-2-fluorobenzoic acid
CID 139689216
2-[(2,5-difluorophenyl)sulfonyl-methylamino]-5-fluorobenzoic acid
CID 167809373

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid (CID 154747396) is 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid is CN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)O)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid?
The InChIKey is ODRUMCUIYYPCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO4S/c1-18(12-5-3-2-4-10(12)16)23(21,22)13-6-8(14(19)20)11(17)7-9(13)15/h2-7H,1H3,(H,19,20).
What are the key properties of 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid?
4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid has a molecular weight of 361.75 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 154747396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).