1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide

C14H16N2O3S — CID 80720289

IUPAC1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H16N2O3S/c15-8-10-3-1-2-4-11(10)9-20(17,18)16-13-7-12-5-6-14(13)19-12/h1-4,12-14,16H,5-7,9H2
InChIKeyATMHKXGOTYXLMB-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.30
Rot. Bonds4

About 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide

1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide (PubChem CID 80720289) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide
PubChem CID80720289
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C14H16N2O3S/c15-8-10-3-1-2-4-11(10)9-20(17,18)16-13-7-12-5-6-14(13)19-12/h1-4,12-14,16H,5-7,9H2
InChIKeyATMHKXGOTYXLMB-UHFFFAOYSA-N
XLogP1.30
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide (CID 80720289) is 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NC1CC2CCC1O2.
What is the InChIKey of 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide?
The InChIKey is ATMHKXGOTYXLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-8-10-3-1-2-4-11(10)9-20(17,18)16-13-7-12-5-6-14(13)19-12/h1-4,12-14,16H,5-7,9H2.
What are the key properties of 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide?
1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide is sourced from PubChem (CID 80720289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).