2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide

C13H17FN2O2S — CID 115753532

IUPAC2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C13H17FN2O2S/c1-3-10(4-2)9-16-19(17,18)13-7-5-6-12(14)11(13)8-15/h5-7,10,16H,3-4,9H2,1-2H3
InChIKeyCLAOQWODGVJHPA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds6

About 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide

2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide (PubChem CID 115753532) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
PubChem CID115753532
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C13H17FN2O2S/c1-3-10(4-2)9-16-19(17,18)13-7-5-6-12(14)11(13)8-15/h5-7,10,16H,3-4,9H2,1-2H3
InChIKeyCLAOQWODGVJHPA-UHFFFAOYSA-N
XLogP2.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
CID 64973743
N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
4-[(2-cyano-3-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540372
2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840
2-cyano-3-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 86043325
2-cyano-3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107271035
2-cyano-3-fluoro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115486680
2-cyano-3-fluoro-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 103833423
2-cyano-3-fluoro-N-hex-5-ynylbenzenesulfonamide
CID 103837000
2-cyano-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399135
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103833619
5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide
CID 103916474

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide (CID 115753532) is 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide is CCC(CC)CNS(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide?
The InChIKey is CLAOQWODGVJHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c1-3-10(4-2)9-16-19(17,18)13-7-5-6-12(14)11(13)8-15/h5-7,10,16H,3-4,9H2,1-2H3.
What are the key properties of 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide?
2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide has a molecular weight of 284.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 115753532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).