2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide

C13H18N2O3S — CID 65113010

IUPAC2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H18N2O3S/c1-3-13(16,4-2)10-15-19(17,18)12-8-6-5-7-11(12)9-14/h5-8,15-16H,3-4,10H2,1-2H3
InChIKeyALKHMFRJLSJGPD-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.39
Rot. Bonds6

About 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide

2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide (PubChem CID 65113010) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
PubChem CID65113010
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H18N2O3S/c1-3-13(16,4-2)10-15-19(17,18)12-8-6-5-7-11(12)9-14/h5-8,15-16H,3-4,10H2,1-2H3
InChIKeyALKHMFRJLSJGPD-UHFFFAOYSA-N
XLogP1.39
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113139
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
N-(2-cyanophenyl)sulfonyl-2,2-dimethylpropanamide
CID 129263111
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
2-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918399
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]benzenesulfonamide
CID 103836681
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide (CID 65113010) is 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide is CCC(O)(CC)CNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide?
The InChIKey is ALKHMFRJLSJGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-13(16,4-2)10-15-19(17,18)12-8-6-5-7-11(12)9-14/h5-8,15-16H,3-4,10H2,1-2H3.
What are the key properties of 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide?
2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 65113010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).