1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide

C12H14N2O3S — CID 80713021

IUPAC1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NC1CCOC1
InChIInChI=1S/C12H14N2O3S/c13-7-10-3-1-2-4-11(10)9-18(15,16)14-12-5-6-17-8-12/h1-4,12,14H,5-6,8-9H2
InChIKeyPIPOIYNODPKOHW-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.77
Rot. Bonds4

About 1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide

1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide (PubChem CID 80713021) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide
PubChem CID80713021
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NC1CCOC1
InChIInChI=1S/C12H14N2O3S/c13-7-10-3-1-2-4-11(10)9-18(15,16)14-12-5-6-17-8-12/h1-4,12,14H,5-6,8-9H2
InChIKeyPIPOIYNODPKOHW-UHFFFAOYSA-N
XLogP0.77
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.77
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-(oxolan-3-yl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide (CID 80713021) is 1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NC1CCOC1.
What is the InChIKey of 1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide?
The InChIKey is PIPOIYNODPKOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-7-10-3-1-2-4-11(10)9-18(15,16)14-12-5-6-17-8-12/h1-4,12,14H,5-6,8-9H2.
What are the key properties of 1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide?
1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 0.77, 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-(oxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 80713021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).