3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid

C15H13ClFNO4S — CID 7516472

IUPAC3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClFNO4S/c16-13-9-11(4-7-14(13)17)18-23(21,22)12-5-1-10(2-6-12)3-8-15(19)20/h1-2,4-7,9,18H,3,8H2,(H,19,20)
InChIKeyHLLAYHGOHRYRRH-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.30
Rot. Bonds6

About 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid

3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid (PubChem CID 7516472) has the molecular formula C15H13ClFNO4S and a molecular weight of 357.79 g/mol. Its IUPAC name is 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
PubChem CID7516472
Molecular FormulaC15H13ClFNO4S
Molecular Weight357.79 g/mol
Exact Mass357.02
IUPAC Name3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClFNO4S/c16-13-9-11(4-7-14(13)17)18-23(21,22)12-5-1-10(2-6-12)3-8-15(19)20/h1-2,4-7,9,18H,3,8H2,(H,19,20)
InChIKeyHLLAYHGOHRYRRH-UHFFFAOYSA-N
XLogP3.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
CID 9234830
3-[4-[(4-fluoro-3-nitrophenyl)sulfamoyl]phenyl]propanoic acid
CID 7516484
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
3-[4-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]propanoic acid
CID 7516441
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
CID 9235437
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24580865

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid (CID 7516472) is 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid is O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The InChIKey is HLLAYHGOHRYRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S/c16-13-9-11(4-7-14(13)17)18-23(21,22)12-5-1-10(2-6-12)3-8-15(19)20/h1-2,4-7,9,18H,3,8H2,(H,19,20).
What are the key properties of 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid has a molecular weight of 357.79 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 7516472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).