2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid

C15H14FNO4S — CID 4306115

IUPAC2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H14FNO4S/c16-12-8-4-5-9-14(12)22(20,21)17-13(15(18)19)10-11-6-2-1-3-7-11/h1-9,13,17H,10H2,(H,18,19)
InChIKeyKTMGPIGNLAPLER-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.80
Rot. Bonds6

About 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid

2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid (PubChem CID 4306115) has the molecular formula C15H14FNO4S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid
PubChem CID4306115
Molecular FormulaC15H14FNO4S
Molecular Weight323.34 g/mol
Exact Mass323.06
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C15H14FNO4S/c16-12-8-4-5-9-14(12)22(20,21)17-13(15(18)19)10-11-6-2-1-3-7-11/h1-9,13,17H,10H2,(H,18,19)
InChIKeyKTMGPIGNLAPLER-UHFFFAOYSA-N
XLogP1.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid (CID 4306115) is 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid?
The InChIKey is KTMGPIGNLAPLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c16-12-8-4-5-9-14(12)22(20,21)17-13(15(18)19)10-11-6-2-1-3-7-11/h1-9,13,17H,10H2,(H,18,19).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid?
2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid has a molecular weight of 323.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 4306115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).