4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C14H15FN2O2S — CID 3244281

IUPAC4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-17(11-9-13-4-2-3-10-16-13)20(18,19)14-7-5-12(15)6-8-14/h2-8,10H,9,11H2,1H3
InChIKeyWTHIAUAGAOVHOO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.08
Rot. Bonds5

About 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 3244281) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID3244281
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-17(11-9-13-4-2-3-10-16-13)20(18,19)14-7-5-12(15)6-8-14/h2-8,10H,9,11H2,1H3
InChIKeyWTHIAUAGAOVHOO-UHFFFAOYSA-N
XLogP2.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Vonoprazan
CID 15981397
N-(pyridin-4-yl)benzenesulfonamide
CID 669138
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
2-Pyridineethanesulfonic acid
CID 96724
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-3-Pyridylbenzenesulfonamide
CID 339079
2-Fluoro-1-methylpyridinium p-toluenesulfonate
CID 171631
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 3244281) is 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is WTHIAUAGAOVHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-17(11-9-13-4-2-3-10-16-13)20(18,19)14-7-5-12(15)6-8-14/h2-8,10H,9,11H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3244281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).