N-(1-cyanoethyl)naphthalene-1-sulfonamide

C13H12N2O2S — CID 115766500

IUPACN-(1-cyanoethyl)naphthalene-1-sulfonamide
SMILESCC(C#N)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H12N2O2S/c1-10(9-14)15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15H,1H3
InChIKeyFNTYKTRGJGTDTI-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.03
Rot. Bonds3

About N-(1-cyanoethyl)naphthalene-1-sulfonamide

N-(1-cyanoethyl)naphthalene-1-sulfonamide (PubChem CID 115766500) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(1-cyanoethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)naphthalene-1-sulfonamide
PubChem CID115766500
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-(1-cyanoethyl)naphthalene-1-sulfonamide
SMILESCC(C#N)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C13H12N2O2S/c1-10(9-14)15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15H,1H3
InChIKeyFNTYKTRGJGTDTI-UHFFFAOYSA-N
XLogP2.03
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutyl)naphthalene-1-sulfonamide
CID 115755819
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686
N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
N-(1-ethylsulfanylpropan-2-yl)naphthalene-1-sulfonamide
CID 115684220
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide
CID 103885404
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-cyanoethyl)naphthalene-1-sulfonamide (CID 115766500) is N-(1-cyanoethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-cyanoethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-cyanoethyl)naphthalene-1-sulfonamide is CC(C#N)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(1-cyanoethyl)naphthalene-1-sulfonamide?
The InChIKey is FNTYKTRGJGTDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-10(9-14)15-18(16,17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10,15H,1H3.
What are the key properties of N-(1-cyanoethyl)naphthalene-1-sulfonamide?
N-(1-cyanoethyl)naphthalene-1-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115766500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).