(2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide

C15H16N2O5S — CID 87800282

IUPAC(2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide
SMILESN[C@@H](CO)C(=O)N(O)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16N2O5S/c16-14(10-18)15(19)17(20)23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18,20H,10,16H2/t14-/m0/s1
InChIKeyKBEBVBGDISNRLZ-AWEZNQCLSA-N
MW336.37 g/mol
LogP0.58
Rot. Bonds5

About (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide

(2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide (PubChem CID 87800282) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide
PubChem CID87800282
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name(2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide
SMILESN[C@@H](CO)C(=O)N(O)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16N2O5S/c16-14(10-18)15(19)17(20)23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18,20H,10,16H2/t14-/m0/s1
InChIKeyKBEBVBGDISNRLZ-AWEZNQCLSA-N
XLogP0.58
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide?
The IUPAC name of (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide (CID 87800282) is (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide?
The canonical SMILES for (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide is N[C@@H](CO)C(=O)N(O)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide?
The InChIKey is KBEBVBGDISNRLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16N2O5S/c16-14(10-18)15(19)17(20)23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,18,20H,10,16H2/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide?
(2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide has a molecular weight of 336.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dihydroxy-N-(4-phenylphenyl)sulfonylpropanamide is sourced from PubChem (CID 87800282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).