(2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid

C15H15FN2O4S — CID 177279803

IUPAC(2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C15H15FN2O4S/c16-11-3-5-12(6-4-11)18-23(21,22)13-7-1-10(2-8-13)9-14(17)15(19)20/h1-8,14,18H,9,17H2,(H,19,20)/t14-/m0/s1
InChIKeyASECROFMBBICJX-AWEZNQCLSA-N
MW338.36 g/mol
LogP1.58
Rot. Bonds6

About (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid

(2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid (PubChem CID 177279803) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
PubChem CID177279803
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name(2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C15H15FN2O4S/c16-11-3-5-12(6-4-11)18-23(21,22)13-7-1-10(2-8-13)9-14(17)15(19)20/h1-8,14,18H,9,17H2,(H,19,20)/t14-/m0/s1
InChIKeyASECROFMBBICJX-AWEZNQCLSA-N
XLogP1.58
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid (CID 177279803) is (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid is N[C@@H](Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
The InChIKey is ASECROFMBBICJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c16-11-3-5-12(6-4-11)18-23(21,22)13-7-1-10(2-8-13)9-14(17)15(19)20/h1-8,14,18H,9,17H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid has a molecular weight of 338.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 177279803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).