N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide

C22H24F2N2O3S — CID 86911291

IUPACN,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)ccc1F
InChIInChI=1S/C22H24F2N2O3S/c1-3-26(4-2)30(28,29)21-15-18(7-10-20(21)24)22(27)25-13-11-17(12-14-25)16-5-8-19(23)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3
InChIKeyGWOJJCVDHYEDNQ-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.92
Rot. Bonds6

About N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide

N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide (PubChem CID 86911291) has the molecular formula C22H24F2N2O3S and a molecular weight of 434.51 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
PubChem CID86911291
Molecular FormulaC22H24F2N2O3S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC NameN,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)ccc1F
InChIInChI=1S/C22H24F2N2O3S/c1-3-26(4-2)30(28,29)21-15-18(7-10-20(21)24)22(27)25-13-11-17(12-14-25)16-5-8-19(23)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3
InChIKeyGWOJJCVDHYEDNQ-UHFFFAOYSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-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

N,N-diethyl-4-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 47014257
2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
CID 22399096
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-diethyl-2-fluorobenzenesulfonamide
CID 51147460
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70769674
3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 79378930
(2S)-2-amino-3-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanoic acid
CID 141178412
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 86948059
(4-methylphenyl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529928
(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530031
3-(diethylsulfamoyl)-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55670053
3-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 79482166
3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 26654935

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide (CID 86911291) is N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)ccc1F.
What is the InChIKey of N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide?
The InChIKey is GWOJJCVDHYEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3S/c1-3-26(4-2)30(28,29)21-15-18(7-10-20(21)24)22(27)25-13-11-17(12-14-25)16-5-8-19(23)9-6-16/h5-11,15H,3-4,12-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide has a molecular weight of 434.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 86911291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).