2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine

C17H13NO3S — CID 15184774

IUPAC2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine
SMILESO=S(=O)(c1ccccc1)N1OC1c1cccc2ccccc12
InChIInChI=1S/C17H13NO3S/c19-22(20,14-9-2-1-3-10-14)18-17(21-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
InChIKeyALHZYNNUWCDPJI-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.47
Rot. Bonds3

About 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine

2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine (PubChem CID 15184774) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine
PubChem CID15184774
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Name2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine
SMILESO=S(=O)(c1ccccc1)N1OC1c1cccc2ccccc12
InChIInChI=1S/C17H13NO3S/c19-22(20,14-9-2-1-3-10-14)18-17(21-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
InChIKeyALHZYNNUWCDPJI-UHFFFAOYSA-N
XLogP3.47
TPSA49.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
(2S,3S)-2-(benzenesulfonyl)-3-naphthalen-1-yloxirane
CID 101169290
[4-[2-(benzenesulfonyl)oxaziridin-3-yl]phenyl]-trimethylazanium
CID 19026267
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
methyl (2S,3R)-1-(4-methylphenyl)sulfonyl-3-naphthalen-1-ylaziridine-2-carboxylate
CID 101217309
2-naphthalen-1-yl-1,3-dioxole
CID 67839712
naphthalen-1-ylsulfonyl(triphenyl)-λ4-sulfane
CID 69106567
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
(2R,3S)-2-naphthalen-1-ylazetidin-3-ol
CID 124638979
(2R,3R)-1-(benzenesulfonyl)-2,3-diethylaziridine
CID 165347301
2-chloro-1-(2-naphthalen-1-yl-1,3-oxazolidin-3-yl)ethanone
CID 12962314

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine?
The IUPAC name of 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine (CID 15184774) is 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine.
What is the SMILES notation for 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine?
The canonical SMILES for 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine is O=S(=O)(c1ccccc1)N1OC1c1cccc2ccccc12.
What is the InChIKey of 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine?
The InChIKey is ALHZYNNUWCDPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c19-22(20,14-9-2-1-3-10-14)18-17(21-18)16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H.
What are the key properties of 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine?
2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine has a molecular weight of 311.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-naphthalen-1-yloxaziridine is sourced from PubChem (CID 15184774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).