N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide

C16H17NO5S — CID 11530109

IUPACN-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide
SMILESCC(C)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-16(2,15(18)17-19)23(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,17,18)
InChIKeyDZCKADUBMZPQDB-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.54
Rot. Bonds5

About N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide

N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide (PubChem CID 11530109) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide
PubChem CID11530109
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide
SMILESCC(C)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-16(2,15(18)17-19)23(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,17,18)
InChIKeyDZCKADUBMZPQDB-UHFFFAOYSA-N
XLogP2.54
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
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

2-(((4-(4-Fluorophenoxy)phenyl)sulfonyl)amino)-N-hydrox y-2-methylpropanamide
CID 9907286
N-Hydroxy-2-(4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-YL)-acetamide
CID 4369
alpha-Sulfone 27c
CID 11589973
alpha-Sulfone 27h
CID 11619415
alpha-Sulfone 27i
CID 11620133
1-N-Hydroxy-4-[(4-phenoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 11697283
2-Amino-N-hydroxy-2-methyl-3-(4-phenoxy-benzenesulfonyl)-propionamide
CID 9841323
N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyloxane-4-carboxamide
CID 9847113
N-hydroxy-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonyloxane-4-carboxamide
CID 9956686
2-(4-Methoxy-benzenesulfonyl)-4-methylene-2-(2-methylene-but-3-enyl)-hex-5-enoic acid hydroxyamide
CID 11825105
N-hydroxy-4-(4-(4-(4-methoxyphenoxy)butoxy)phenylsulfonyl)tetrahydro-2H-pyran-4-carboxamide
CID 20620688
N-Hydroxy-2-methyl-3-(4-phenoxy-benzenesulfonyl)-2-prop-2-ynylamino-propionamide
CID 21130562

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide (CID 11530109) is N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide is CC(C)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide?
The InChIKey is DZCKADUBMZPQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-16(2,15(18)17-19)23(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,17,18).
What are the key properties of N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide?
N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide has a molecular weight of 335.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-(4-phenoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 11530109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).