N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide

C11H15NO5S — CID 18712765

IUPACN,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CC(C)(O)C(=O)NO)cc1
InChIInChI=1S/C11H15NO5S/c1-8-3-5-9(6-4-8)18(16,17)7-11(2,14)10(13)12-15/h3-6,14-15H,7H2,1-2H3,(H,12,13)
InChIKeyRXTXUBHJVQLJOV-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.03
Rot. Bonds4

About N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide

N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 18712765) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID18712765
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC NameN,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CC(C)(O)C(=O)NO)cc1
InChIInChI=1S/C11H15NO5S/c1-8-3-5-9(6-4-8)18(16,17)7-11(2,14)10(13)12-15/h3-6,14-15H,7H2,1-2H3,(H,12,13)
InChIKeyRXTXUBHJVQLJOV-UHFFFAOYSA-N
XLogP0.03
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
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-Methylphenyl)sulfonyl)acetamide
CID 104164
5-Methyl-2-(3-methyl-but-2-enyl)-2-(toluene-4-sulfonyl)-hex-4-enoic acid hydroxyamide
CID 11760296
N-Hydroxy-3-(4-trifluoromethyl-benzenesulfonyl)-propionamide
CID 44404480
N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfanylpropanamide
CID 56950466
N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenyl)sulfonylpropanamide
CID 56951000
N-hydroxy-2-(4-phenylphenyl)sulfonylacetamide
CID 168276813
N-hydroxy-3-methyl-2-(4-methylphenyl)sulfonyl-2-prop-1-en-2-ylbut-3-enamide
CID 44445363
(2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide
CID 53319213
(E)-3-(4-methylsulfonylphenyl)prop-2-enehydroxamic acid
CID 118726025
2-{[(4-Methylphenyl)sulfonyl]methyl}acrylamide
CID 832392
3-(4-Methylbenzenesulfonyl)propanamide
CID 676777
3-(4-Fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
CID 91551816

Frequently Asked Questions

What is the IUPAC name of N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide (CID 18712765) is N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CC(C)(O)C(=O)NO)cc1.
What is the InChIKey of N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is RXTXUBHJVQLJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8-3-5-9(6-4-8)18(16,17)7-11(2,14)10(13)12-15/h3-6,14-15H,7H2,1-2H3,(H,12,13).
What are the key properties of N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide?
N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 273.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dihydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 18712765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).