N-(1-cyanobutyl)naphthalene-1-sulfonamide

C15H16N2O2S — CID 115755819

IUPACN-(1-cyanobutyl)naphthalene-1-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-2-6-13(11-16)17-20(18,19)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-10,13,17H,2,6H2,1H3
InChIKeyDWGREURPUDJCMI-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.81
Rot. Bonds5

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

N-(1-cyanobutyl)naphthalene-1-sulfonamide (PubChem CID 115755819) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(1-cyanobutyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)naphthalene-1-sulfonamide
PubChem CID115755819
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(1-cyanobutyl)naphthalene-1-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O2S/c1-2-6-13(11-16)17-20(18,19)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-10,13,17H,2,6H2,1H3
InChIKeyDWGREURPUDJCMI-UHFFFAOYSA-N
XLogP2.81
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821
2-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123856
N-(1-cyanoethyl)naphthalene-1-sulfonamide
CID 115766500
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide
CID 61124655
N-(5-methylhexan-2-yl)naphthalene-1-sulfonamide
CID 114795789
N-(1-cyanobutyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61122459
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686
4-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123069
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
N-(2-methylpentan-2-yl)naphthalene-1-sulfonamide
CID 115684135
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(1-cyanobutyl)naphthalene-1-sulfonamide (CID 115755819) is N-(1-cyanobutyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(1-cyanobutyl)naphthalene-1-sulfonamide is CCCC(C#N)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(1-cyanobutyl)naphthalene-1-sulfonamide?
The InChIKey is DWGREURPUDJCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-6-13(11-16)17-20(18,19)15-10-5-8-12-7-3-4-9-14(12)15/h3-5,7-10,13,17H,2,6H2,1H3.
What are the key properties of N-(1-cyanobutyl)naphthalene-1-sulfonamide?
N-(1-cyanobutyl)naphthalene-1-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 115755819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).