3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C14H12FN3O2S — CID 63288706

IUPAC3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCCc2ccncc2)ccc1F
InChIInChI=1S/C14H12FN3O2S/c15-14-2-1-13(9-12(14)10-16)21(19,20)18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8H2
InChIKeyYPDVFBLRISJJDJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.61
Rot. Bonds5

About 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide

3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 63288706) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID63288706
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCCc2ccncc2)ccc1F
InChIInChI=1S/C14H12FN3O2S/c15-14-2-1-13(9-12(14)10-16)21(19,20)18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8H2
InChIKeyYPDVFBLRISJJDJ-UHFFFAOYSA-N
XLogP1.61
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63239719
3-cyano-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 55171923
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779
3-cyano-4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693958
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390
3-cyano-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104600681
3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 63239212
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 63239187
3-cyano-4-fluoro-N-(2-pyrrolidin-2-ylethyl)benzenesulfonamide
CID 114794187

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 63288706) is 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)NCCc2ccncc2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is YPDVFBLRISJJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c15-14-2-1-13(9-12(14)10-16)21(19,20)18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8H2.
What are the key properties of 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63288706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).