N'-benzylsulfonyloxamide

C9H10N2O4S — CID 68846136

IUPACN'-benzylsulfonyloxamide
SMILESNC(=O)C(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H10N2O4S/c10-8(12)9(13)11-16(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13)
InChIKeyKDYPVSYQWQXLHT-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.88
Rot. Bonds3

About N'-benzylsulfonyloxamide

N'-benzylsulfonyloxamide (PubChem CID 68846136) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is N'-benzylsulfonyloxamide.

Molecular Properties

Compound NameN'-benzylsulfonyloxamide
PubChem CID68846136
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC NameN'-benzylsulfonyloxamide
SMILESNC(=O)C(=O)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C9H10N2O4S/c10-8(12)9(13)11-16(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13)
InChIKeyKDYPVSYQWQXLHT-UHFFFAOYSA-N
XLogP-0.88
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-Hydroxy-N~2~-[(2-Phenylethyl)sulfonyl]glycinamide
CID 57339411
Xrtskrbkmfjbjv-uhfffaoysa-
CID 13373975
[(Benzylsulfonyl)amino]acetic acid
CID 227303
3-(Benzylsulfonyl)-2-methylpropanamide
CID 335544
2-Benzylsulfinylacetamide
CID 23205551
2-methyl-N-(2-phenylethylsulfonyl)propanamide
CID 53593264
N-(2-aminoethyl)-1-phenylmethanesulfonamide
CID 20119595
2-(4-Phenylbutylsulfonyl)acetamide
CID 479453
2-(5-Phenylpentylsulfonyl)acetamide
CID 479454
2-(6-Phenylhexylsulfonyl)acetamide
CID 479455
N-Methyl-N-(phenylmethanesulfonyl)acetamide
CID 15062897
2-[(4-Fluorophenyl)methylsulfonyl]acetamide
CID 45892024

Frequently Asked Questions

What is the IUPAC name of N'-benzylsulfonyloxamide?
The IUPAC name of N'-benzylsulfonyloxamide (CID 68846136) is N'-benzylsulfonyloxamide.
What is the SMILES notation for N'-benzylsulfonyloxamide?
The canonical SMILES for N'-benzylsulfonyloxamide is NC(=O)C(=O)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N'-benzylsulfonyloxamide?
The InChIKey is KDYPVSYQWQXLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c10-8(12)9(13)11-16(14,15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)(H,11,13).
What are the key properties of N'-benzylsulfonyloxamide?
N'-benzylsulfonyloxamide has a molecular weight of 242.26 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylsulfonyloxamide is sourced from PubChem (CID 68846136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).