N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide

C17H19NO6S2 — CID 56951000

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide
SMILESCC(CS(=O)(=O)c1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19NO6S2/c1-17(16(19)18-20,25(2,21)22)12-26(23,24)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyDEZZMBQVHXCSOK-UHFFFAOYSA-N
MW397.47 g/mol
LogP1.44
Rot. Bonds6

About N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide

N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide (PubChem CID 56951000) has the molecular formula C17H19NO6S2 and a molecular weight of 397.47 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide
PubChem CID56951000
Molecular FormulaC17H19NO6S2
Molecular Weight397.47 g/mol
Exact Mass397.07
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide
SMILESCC(CS(=O)(=O)c1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19NO6S2/c1-17(16(19)18-20,25(2,21)22)12-26(23,24)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyDEZZMBQVHXCSOK-UHFFFAOYSA-N
XLogP1.44
TPSA117.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide (CID 56951000) is N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide is CC(CS(=O)(=O)c1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide?
The InChIKey is DEZZMBQVHXCSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S2/c1-17(16(19)18-20,25(2,21)22)12-26(23,24)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide has a molecular weight of 397.47 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide is sourced from PubChem (CID 56951000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).