1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol

C19H18F3NO3S — CID 101392963

IUPAC1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccc(C(F)(F)F)cc3)=CC(O)C2)cc1
InChIInChI=1S/C19H18F3NO3S/c1-13-2-8-18(9-3-13)27(25,26)23-11-15(10-17(24)12-23)14-4-6-16(7-5-14)19(20,21)22/h2-10,17,24H,11-12H2,1H3
InChIKeyJIJCPZFKZJKUKE-UHFFFAOYSA-N
MW397.42 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol

1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 101392963) has the molecular formula C19H18F3NO3S and a molecular weight of 397.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol
PubChem CID101392963
Molecular FormulaC19H18F3NO3S
Molecular Weight397.42 g/mol
Exact Mass397.10
IUPAC Name1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccc(C(F)(F)F)cc3)=CC(O)C2)cc1
InChIInChI=1S/C19H18F3NO3S/c1-13-2-8-18(9-3-13)27(25,26)23-11-15(10-17(24)12-23)14-4-6-16(7-5-14)19(20,21)22/h2-10,17,24H,11-12H2,1H3
InChIKeyJIJCPZFKZJKUKE-UHFFFAOYSA-N
XLogP3.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63872528
5-(benzenesulfonyl)-3-(bromomethyl)-1-(4-methylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
CID 175408517
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
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CID 122218585
1-(3,4-dimethylphenyl)sulfonyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 43008778
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(3S,4R)-3-amino-1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
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3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol (CID 101392963) is 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol is Cc1ccc(S(=O)(=O)N2CC(c3ccc(C(F)(F)F)cc3)=CC(O)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is JIJCPZFKZJKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3S/c1-13-2-8-18(9-3-13)27(25,26)23-11-15(10-17(24)12-23)14-4-6-16(7-5-14)19(20,21)22/h2-10,17,24H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol?
1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 397.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 101392963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).