4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane

C12H15N3O4S — CID 66746174

IUPAC4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane
SMILESN#Cc1c(NS(N)(=O)=O)cccc1OC1CCOCC1
InChIInChI=1S/C12H15N3O4S/c13-8-10-11(15-20(14,16)17)2-1-3-12(10)19-9-4-6-18-7-5-9/h1-3,9,15H,4-7H2,(H2,14,16,17)
InChIKeyJTJHQHVIYZOWQZ-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.73
Rot. Bonds4

About 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane

4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane (PubChem CID 66746174) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane.

Molecular Properties

Compound Name4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane
PubChem CID66746174
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane
SMILESN#Cc1c(NS(N)(=O)=O)cccc1OC1CCOCC1
InChIInChI=1S/C12H15N3O4S/c13-8-10-11(15-20(14,16)17)2-1-3-12(10)19-9-4-6-18-7-5-9/h1-3,9,15H,4-7H2,(H2,14,16,17)
InChIKeyJTJHQHVIYZOWQZ-UHFFFAOYSA-N
XLogP0.73
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane?
The IUPAC name of 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane (CID 66746174) is 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane.
What is the SMILES notation for 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane?
The canonical SMILES for 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane is N#Cc1c(NS(N)(=O)=O)cccc1OC1CCOCC1.
What is the InChIKey of 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane?
The InChIKey is JTJHQHVIYZOWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c13-8-10-11(15-20(14,16)17)2-1-3-12(10)19-9-4-6-18-7-5-9/h1-3,9,15H,4-7H2,(H2,14,16,17).
What are the key properties of 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane?
4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane has a molecular weight of 297.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyano-3-(sulfamoylamino)phenoxy]oxane is sourced from PubChem (CID 66746174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).