N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide

C17H19NO5S — CID 10959017

IUPACN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C17H19NO5S/c1-17(16(19)18-20,12-13-6-4-3-5-7-13)24(21,22)15-10-8-14(23-2)9-11-15/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyXBLZKAPRZBJHCZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.98
Rot. Bonds6

About N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide

N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide (PubChem CID 10959017) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide
PubChem CID10959017
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C17H19NO5S/c1-17(16(19)18-20,12-13-6-4-3-5-7-13)24(21,22)15-10-8-14(23-2)9-11-15/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyXBLZKAPRZBJHCZ-UHFFFAOYSA-N
XLogP1.98
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide (CID 10959017) is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide is COc1ccc(S(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide?
The InChIKey is XBLZKAPRZBJHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-17(16(19)18-20,12-13-6-4-3-5-7-13)24(21,22)15-10-8-14(23-2)9-11-15/h3-11,20H,12H2,1-2H3,(H,18,19).
What are the key properties of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide?
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide has a molecular weight of 349.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 10959017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).