3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid

C15H12ClF2NO4S — CID 25037765

IUPAC3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClF2NO4S/c16-12-7-11(5-6-13(12)18)24(22,23)19-14(8-15(20)21)9-1-3-10(17)4-2-9/h1-7,14,19H,8H2,(H,20,21)
InChIKeyZPDKJRNAUVWHLL-UHFFFAOYSA-N
MW375.78 g/mol
LogP3.11
Rot. Bonds6

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

3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid (PubChem CID 25037765) has the molecular formula C15H12ClF2NO4S and a molecular weight of 375.78 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
PubChem CID25037765
Molecular FormulaC15H12ClF2NO4S
Molecular Weight375.78 g/mol
Exact Mass375.01
IUPAC Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClF2NO4S/c16-12-7-11(5-6-13(12)18)24(22,23)19-14(8-15(20)21)9-1-3-10(17)4-2-9/h1-7,14,19H,8H2,(H,20,21)
InChIKeyZPDKJRNAUVWHLL-UHFFFAOYSA-N
XLogP3.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid (CID 25037765) is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid is O=C(O)CC(NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
The InChIKey is ZPDKJRNAUVWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO4S/c16-12-7-11(5-6-13(12)18)24(22,23)19-14(8-15(20)21)9-1-3-10(17)4-2-9/h1-7,14,19H,8H2,(H,20,21).
What are the key properties of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid?
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid has a molecular weight of 375.78 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 25037765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).