4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol

C21H19F3N2OS — CID 145434070

IUPAC4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol
SMILESCC(C)(NSc1ccccc1C(F)(F)F)c1cccc(-c2ccncc2O)c1
InChIInChI=1S/C21H19F3N2OS/c1-20(2,26-28-19-9-4-3-8-17(19)21(22,23)24)15-7-5-6-14(12-15)16-10-11-25-13-18(16)27/h3-13,26-27H,1-2H3
InChIKeyLPOWDNSQSUDEJV-UHFFFAOYSA-N
MW404.46 g/mol
LogP6.01
Rot. Bonds5

About 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol

4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol (PubChem CID 145434070) has the molecular formula C21H19F3N2OS and a molecular weight of 404.46 g/mol. Its IUPAC name is 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol.

Molecular Properties

Compound Name4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol
PubChem CID145434070
Molecular FormulaC21H19F3N2OS
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC Name4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol
SMILESCC(C)(NSc1ccccc1C(F)(F)F)c1cccc(-c2ccncc2O)c1
InChIInChI=1S/C21H19F3N2OS/c1-20(2,26-28-19-9-4-3-8-17(19)21(22,23)24)15-7-5-6-14(12-15)16-10-11-25-13-18(16)27/h3-13,26-27H,1-2H3
InChIKeyLPOWDNSQSUDEJV-UHFFFAOYSA-N
XLogP6.01
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 145433764
3-(3-ethyl-4-pyridinyl)-5-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenol
CID 145433807
2-(3-quinolin-4-ylphenyl)-N-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-amine
CID 145434033
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
4-fluoro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 145434147
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
6-fluoro-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091792
N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyridin-3-amine
CID 90753067
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
4-(4-methylphenyl)pyridin-3-ol
CID 22125492
3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 174650636

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol?
The IUPAC name of 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol (CID 145434070) is 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol.
What is the SMILES notation for 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol?
The canonical SMILES for 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol is CC(C)(NSc1ccccc1C(F)(F)F)c1cccc(-c2ccncc2O)c1.
What is the InChIKey of 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol?
The InChIKey is LPOWDNSQSUDEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2OS/c1-20(2,26-28-19-9-4-3-8-17(19)21(22,23)24)15-7-5-6-14(12-15)16-10-11-25-13-18(16)27/h3-13,26-27H,1-2H3.
What are the key properties of 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol?
4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol has a molecular weight of 404.46 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[[2-(trifluoromethyl)phenyl]sulfanylamino]propan-2-yl]phenyl]pyridin-3-ol is sourced from PubChem (CID 145434070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).