1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide

C14H18N2O3S — CID 115752971

IUPAC1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccccc1C#N)C1CCOC1
InChIInChI=1S/C14H18N2O3S/c1-11(13-6-7-19-9-13)16-20(17,18)10-14-5-3-2-4-12(14)8-15/h2-5,11,13,16H,6-7,9-10H2,1H3
InChIKeyWJAZZFHRVQGCSP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.40
Rot. Bonds5

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

1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide (PubChem CID 115752971) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide
PubChem CID115752971
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)Cc1ccccc1C#N)C1CCOC1
InChIInChI=1S/C14H18N2O3S/c1-11(13-6-7-19-9-13)16-20(17,18)10-14-5-3-2-4-12(14)8-15/h2-5,11,13,16H,6-7,9-10H2,1H3
InChIKeyWJAZZFHRVQGCSP-UHFFFAOYSA-N
XLogP1.40
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide
CID 80713021
3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
CID 103830180
N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide
CID 115684208
2-[(3-methylmorpholin-4-yl)sulfonylmethyl]benzonitrile
CID 43429177
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxypropanoic acid
CID 43080450
3-[1-(sulfamoylamino)ethyl]oxolane
CID 115650630
N-ethyl-2-[(2-methylphenyl)methylsulfonyl]-1-(oxolan-3-yl)ethanamine
CID 104754198
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
CID 63683358

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide (CID 115752971) is 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide is CC(NS(=O)(=O)Cc1ccccc1C#N)C1CCOC1.
What is the InChIKey of 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide?
The InChIKey is WJAZZFHRVQGCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11(13-6-7-19-9-13)16-20(17,18)10-14-5-3-2-4-12(14)8-15/h2-5,11,13,16H,6-7,9-10H2,1H3.
What are the key properties of 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[1-(oxolan-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 115752971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).