3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C14H15FN2O2S — CID 46452389

IUPAC3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccccn2)cc1F
InChIInChI=1S/C14H15FN2O2S/c1-10-6-7-12(9-13(10)15)20(18,19)17-11(2)14-5-3-4-8-16-14/h3-9,11,17H,1-2H3
InChIKeyDWVAHPKFLMAJEB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.57
Rot. Bonds4

About 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide

3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 46452389) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID46452389
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccccn2)cc1F
InChIInChI=1S/C14H15FN2O2S/c1-10-6-7-12(9-13(10)15)20(18,19)17-11(2)14-5-3-4-8-16-14/h3-9,11,17H,1-2H3
InChIKeyDWVAHPKFLMAJEB-UHFFFAOYSA-N
XLogP2.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
3-nitro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724474
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
1-(3-fluoro-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401331
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 43524541

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 46452389) is 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2ccccn2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is DWVAHPKFLMAJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-6-7-12(9-13(10)15)20(18,19)17-11(2)14-5-3-4-8-16-14/h3-9,11,17H,1-2H3.
What are the key properties of 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 46452389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).