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

C15H16N2O5S — CID 91512322

IUPAC(2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
SMILESO=C(NO)[C@H](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)/t14-/m0/s1
InChIKeyLLRBPJHBGWTREP-AWEZNQCLSA-N
MW336.37 g/mol
LogP0.50
Rot. Bonds6

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

(2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide (PubChem CID 91512322) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
PubChem CID91512322
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name(2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
SMILESO=C(NO)[C@H](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)/t14-/m0/s1
InChIKeyLLRBPJHBGWTREP-AWEZNQCLSA-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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Related Compounds

Arp 101
CID 11292680
N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide
CID 24178109
Arp-100
CID 10044321
2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide
CID 25049753
(2R)-N-hydroxy-4-(methanesulfonamido)-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butanamide
CID 25102048
N-hydroxy-2-(N-isopropoxy-4''-isopropylbiphenyl-4-ylsulfonamido)-3-methylbutanamide
CID 45268787
(R)-N-Hydroxy-2-(N-isopropoxy-[1,1'-biphenyl]-4-sulfonamido)-3-methylbutanamide
CID 24868315
(2S)-2-[([1,1'-Biphenyl]-4-ylsulfonyl)(1-methylethoxy)amino]-N-hydroxy-3-methylbutanamide
CID 44389560
(R)-4-Amino-2-[(biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydroxy-butyramide
CID 44389591
(S)-2-(N-(2,3-dihydroxypropyl)biphenyl-4-ylsulfonamido)-N-hydroxyacetamide
CID 50907292
(2R)-N-hydroxy-3-methyl-2-[(4-phenylbenzene)sulfonamido]butanamide
CID 6539672
N-hydroxy-3-[(4-phenylphenyl)sulfonylamino]propanamide
CID 127037443

Frequently Asked Questions

What is the IUPAC name of (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide (CID 91512322) is (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide is O=C(NO)[C@H](CO)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
The InChIKey is LLRBPJHBGWTREP-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide?
(2S)-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 (2S)-N,3-dihydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 91512322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).