3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide

C14H18N2O3S — CID 103768645

IUPAC3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1
InChIInChI=1S/C14H18N2O3S/c1-11(13-5-7-19-8-6-13)16-20(17,18)14-4-2-3-12(9-14)10-15/h2-4,9,11,13,16H,5-8H2,1H3
InChIKeyFHVHBDIUZWVERL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.65
Rot. Bonds4

About 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide

3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide (PubChem CID 103768645) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
PubChem CID103768645
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1
InChIInChI=1S/C14H18N2O3S/c1-11(13-5-7-19-8-6-13)16-20(17,18)14-4-2-3-12(9-14)10-15/h2-4,9,11,13,16H,5-8H2,1H3
InChIKeyFHVHBDIUZWVERL-UHFFFAOYSA-N
XLogP1.65
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958508
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 54926250
3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
CID 62407232
propan-2-yl (2S)-2-[(3-cyanophenyl)sulfonylamino]propanoate
CID 124588327
N-but-3-en-2-yl-3-cyanobenzenesulfonamide
CID 103750108
N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
CID 115309375
3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
3-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 42999377
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide (CID 103768645) is 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1.
What is the InChIKey of 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide?
The InChIKey is FHVHBDIUZWVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11(13-5-7-19-8-6-13)16-20(17,18)14-4-2-3-12(9-14)10-15/h2-4,9,11,13,16H,5-8H2,1H3.
What are the key properties of 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide?
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103768645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).