4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide

C13H15FN2O3S — CID 106316195

IUPAC4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
SMILESCC1=CCCN(C(=O)c2cc(F)ccc2S(N)(=O)=O)C1
InChIInChI=1S/C13H15FN2O3S/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)20(15,18)19/h3-5,7H,2,6,8H2,1H3,(H2,15,18,19)
InChIKeyTULGSWBFZDKIAO-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.27
Rot. Bonds2

About 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide

4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide (PubChem CID 106316195) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
PubChem CID106316195
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
SMILESCC1=CCCN(C(=O)c2cc(F)ccc2S(N)(=O)=O)C1
InChIInChI=1S/C13H15FN2O3S/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)20(15,18)19/h3-5,7H,2,6,8H2,1H3,(H2,15,18,19)
InChIKeyTULGSWBFZDKIAO-UHFFFAOYSA-N
XLogP1.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-4-fluorophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313202
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
(4-fluoro-2-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313557
(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314285
4-fluoro-2-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60876018
(2,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314386
1-(2-bromo-4-fluorophenyl)sulfonyl-5-methyl-3,6-dihydro-2H-pyridine
CID 114172671
(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313560
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
2-(azepane-1-carbonyl)-4-fluorobenzenesulfonyl chloride
CID 60876776
[4-fluoro-2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanol
CID 106317053
(4-bromo-3-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314340

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide (CID 106316195) is 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide is CC1=CCCN(C(=O)c2cc(F)ccc2S(N)(=O)=O)C1.
What is the InChIKey of 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is TULGSWBFZDKIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)20(15,18)19/h3-5,7H,2,6,8H2,1H3,(H2,15,18,19).
What are the key properties of 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 106316195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).