N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide

C15H16N2O2S — CID 115684154

IUPACN-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-2-17(12-6-11-16)20(18,19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,12H2,1H3
InChIKeyQQXKBQMHPIUMPS-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.76
Rot. Bonds5

About N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide

N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide (PubChem CID 115684154) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide
PubChem CID115684154
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-2-17(12-6-11-16)20(18,19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,12H2,1H3
InChIKeyQQXKBQMHPIUMPS-UHFFFAOYSA-N
XLogP2.76
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)naphthalene-1-sulfonamide
CID 4986710
N,N-bis(cyanomethyl)naphthalene-1-sulfonamide
CID 115684138
2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
CID 61046475
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
N-(2-cyanoethyl)-N-ethyl-1-phenylmethanesulfonamide
CID 54992479
4-[2-cyanoethyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791502
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
N-prop-2-enyl-N-propylnaphthalene-1-sulfonamide
CID 114795839
4-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 116527494
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
2-amino-4-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61140226
1-N,1-N,2-N,2-N-tetrakis(3-cyanopropyl)benzene-1,2-disulfonamide
CID 157431931

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide (CID 115684154) is N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide is CCN(CCC#N)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide?
The InChIKey is QQXKBQMHPIUMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-17(12-6-11-16)20(18,19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,12H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide?
N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide is sourced from PubChem (CID 115684154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).