2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

C13H15FN2O3S — CID 102675855

IUPAC2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H15FN2O3S/c14-12-5-2-6-13(11(12)9-15)20(18,19)16(7-8-17)10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-8H2
InChIKeyOCFATNFNNVKWIJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.23
Rot. Bonds5

About 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide

2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 102675855) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID102675855
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H15FN2O3S/c14-12-5-2-6-13(11(12)9-15)20(18,19)16(7-8-17)10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-8H2
InChIKeyOCFATNFNNVKWIJ-UHFFFAOYSA-N
XLogP1.23
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 102675855) is 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is OCFATNFNNVKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c14-12-5-2-6-13(11(12)9-15)20(18,19)16(7-8-17)10-3-1-4-10/h2,5-6,10,17H,1,3-4,7-8H2.
What are the key properties of 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 102675855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).