(R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol

C19H20FNO3S — CID 166441488

IUPAC(R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC=C[C@H]([C@@H](O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FNO3S/c1-14-4-10-18(11-5-14)25(23,24)21-12-2-3-16(13-21)19(22)15-6-8-17(20)9-7-15/h2-11,16,19,22H,12-13H2,1H3/t16-,19-/m0/s1
InChIKeyMOOUWHCSHNWIOG-LPHOPBHVSA-N
MW361.44 g/mol
LogP3.04
Rot. Bonds4

About (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol

(R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol (PubChem CID 166441488) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol.

Molecular Properties

Compound Name(R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol
PubChem CID166441488
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name(R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CC=C[C@H]([C@@H](O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H20FNO3S/c1-14-4-10-18(11-5-14)25(23,24)21-12-2-3-16(13-21)19(22)15-6-8-17(20)9-7-15/h2-11,16,19,22H,12-13H2,1H3/t16-,19-/m0/s1
InChIKeyMOOUWHCSHNWIOG-LPHOPBHVSA-N
XLogP3.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol 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

(R)-(2-methoxyphenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol
CID 166441489
(E,1S)-1-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]-3-phenylprop-2-en-1-ol
CID 166441486
2,5-bis-(4-methylphenyl)sulfonyl-1,3,3a,4,6,8a-hexahydropyrrolo[3,4-c]azepine
CID 132565865
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(S)-(4-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 100669848
1-(4-fluorophenyl)sulfonylazetidin-3-ol
CID 63106433
(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
4-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 16757141
(2R)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 101342795
6-[bis(4-fluorophenyl)methylidene]-1-(4-methylphenyl)sulfonyl-3,7-dihydro-2H-azepine
CID 71483639
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
(8Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,3,4,5,7,10-hexahydro-1,6-diazecine
CID 102269003

Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol?
The IUPAC name of (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol (CID 166441488) is (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol.
What is the SMILES notation for (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol?
The canonical SMILES for (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol is Cc1ccc(S(=O)(=O)N2CC=C[C@H]([C@@H](O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol?
The InChIKey is MOOUWHCSHNWIOG-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-14-4-10-18(11-5-14)25(23,24)21-12-2-3-16(13-21)19(22)15-6-8-17(20)9-7-15/h2-11,16,19,22H,12-13H2,1H3/t16-,19-/m0/s1.
What are the key properties of (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol?
(R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol has a molecular weight of 361.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluorophenyl)-[(3S)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-3-yl]methanol is sourced from PubChem (CID 166441488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).