2-(benzenesulfonyl)-2H-azirine

C8H7NO2S — CID 149051193

IUPAC2-(benzenesulfonyl)-2H-azirine
SMILESO=S(=O)(c1ccccc1)C1C=N1
InChIInChI=1S/C8H7NO2S/c10-12(11,8-6-9-8)7-4-2-1-3-5-7/h1-6,8H
InChIKeyQJVWKJUDGPFOAQ-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.87
Rot. Bonds2

About 2-(benzenesulfonyl)-2H-azirine

2-(benzenesulfonyl)-2H-azirine (PubChem CID 149051193) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2H-azirine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2H-azirine
PubChem CID149051193
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name2-(benzenesulfonyl)-2H-azirine
SMILESO=S(=O)(c1ccccc1)C1C=N1
InChIInChI=1S/C8H7NO2S/c10-12(11,8-6-9-8)7-4-2-1-3-5-7/h1-6,8H
InChIKeyQJVWKJUDGPFOAQ-UHFFFAOYSA-N
XLogP0.87
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(benzenesulfonyl)cyclopropan-1-amine
CID 99999285
benzene;benzenesulfonyl chloride
CID 87647314
benzenesulfonyl chloride;iron
CID 174954068
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
1-[2-(benzenesulfonyl)cyclopropyl]ethanone
CID 24975351
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
(4R)-4-(benzenesulfonyl)azetidin-2-one
CID 51374299
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
9,10-bis(benzenesulfonyl)-11-thiatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 102257079
difluoromethylsulfonylbenzene
CID 21069574
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2H-azirine?
The IUPAC name of 2-(benzenesulfonyl)-2H-azirine (CID 149051193) is 2-(benzenesulfonyl)-2H-azirine.
What is the SMILES notation for 2-(benzenesulfonyl)-2H-azirine?
The canonical SMILES for 2-(benzenesulfonyl)-2H-azirine is O=S(=O)(c1ccccc1)C1C=N1.
What is the InChIKey of 2-(benzenesulfonyl)-2H-azirine?
The InChIKey is QJVWKJUDGPFOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-12(11,8-6-9-8)7-4-2-1-3-5-7/h1-6,8H.
What are the key properties of 2-(benzenesulfonyl)-2H-azirine?
2-(benzenesulfonyl)-2H-azirine has a molecular weight of 181.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2H-azirine is sourced from PubChem (CID 149051193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).