(2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid

C16H16N2O5S — CID 5387782

IUPAC(2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H16N2O5S/c1-11(16(20)21)18-24(22,23)14-9-7-13(8-10-14)17-15(19)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyXFZWVVHQYZGKPH-LLVKDONJSA-N
MW348.38 g/mol
LogP1.69
Rot. Bonds6

About (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid

(2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid (PubChem CID 5387782) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid
PubChem CID5387782
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name(2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H16N2O5S/c1-11(16(20)21)18-24(22,23)14-9-7-13(8-10-14)17-15(19)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyXFZWVVHQYZGKPH-LLVKDONJSA-N
XLogP1.69
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid (CID 5387782) is (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid?
The InChIKey is XFZWVVHQYZGKPH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11(16(20)21)18-24(22,23)14-9-7-13(8-10-14)17-15(19)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,17,19)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid?
(2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid has a molecular weight of 348.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-benzamidophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 5387782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).