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

C16H18N2O5S — CID 58835332

IUPACN,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide
SMILESCC(O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C16H18N2O5S/c1-11(19)15(16(20)17-21)18-24(22,23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,18-19,21H,1H3,(H,17,20)
InChIKeyVNEQUEZROPRVBW-UHFFFAOYSA-N
MW350.40 g/mol
LogP0.89
Rot. Bonds6

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

N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide (PubChem CID 58835332) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide
PubChem CID58835332
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide
SMILESCC(O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C16H18N2O5S/c1-11(19)15(16(20)17-21)18-24(22,23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,18-19,21H,1H3,(H,17,20)
InChIKeyVNEQUEZROPRVBW-UHFFFAOYSA-N
XLogP0.89
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.89
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]butanamide?
The IUPAC name of N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide (CID 58835332) is N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide is CC(O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide?
The InChIKey is VNEQUEZROPRVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-11(19)15(16(20)17-21)18-24(22,23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15,18-19,21H,1H3,(H,17,20).
What are the key properties of N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide?
N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]butanamide has a molecular weight of 350.40 g/mol, XLogP of 0.89, 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]butanamide is sourced from PubChem (CID 58835332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).