N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide

C15H16N2O5S — CID 58835339

IUPACN,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
SMILESO=C(NO)C(CO)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16N2O5S/c18-10-14(15(19)16-20)17-23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,17-18,20H,10H2,(H,16,19)
InChIKeyLLRBPJHBGWTREP-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.50
Rot. Bonds6

About N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide

N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide (PubChem CID 58835339) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
PubChem CID58835339
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
SMILESO=C(NO)C(CO)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16N2O5S/c18-10-14(15(19)16-20)17-23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,17-18,20H,10H2,(H,16,19)
InChIKeyLLRBPJHBGWTREP-UHFFFAOYSA-N
XLogP0.50
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The IUPAC name of N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide (CID 58835339) is N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide is O=C(NO)C(CO)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The InChIKey is LLRBPJHBGWTREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c18-10-14(15(19)16-20)17-23(21,22)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,17-18,20H,10H2,(H,16,19).
What are the key properties of N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide has a molecular weight of 336.37 g/mol, XLogP of 0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 58835339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).