1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol

C16H22F3NO4S — CID 11501806

IUPAC1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)N2CCCCC2CCO)cc1)C(F)(F)F
InChIInChI=1S/C16H22F3NO4S/c1-15(22,16(17,18)19)12-5-7-14(8-6-12)25(23,24)20-10-3-2-4-13(20)9-11-21/h5-8,13,21-22H,2-4,9-11H2,1H3
InChIKeyXANQGJMXIFADFH-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.38
Rot. Bonds5

About 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol

1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol (PubChem CID 11501806) has the molecular formula C16H22F3NO4S and a molecular weight of 381.42 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol
PubChem CID11501806
Molecular FormulaC16H22F3NO4S
Molecular Weight381.42 g/mol
Exact Mass381.12
IUPAC Name1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)N2CCCCC2CCO)cc1)C(F)(F)F
InChIInChI=1S/C16H22F3NO4S/c1-15(22,16(17,18)19)12-5-7-14(8-6-12)25(23,24)20-10-3-2-4-13(20)9-11-21/h5-8,13,21-22H,2-4,9-11H2,1H3
InChIKeyXANQGJMXIFADFH-UHFFFAOYSA-N
XLogP2.38
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321
1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol
CID 11681587
[(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 174971358
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
CID 43104623
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 60957878
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
5-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 146025002
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
2-[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 63321689
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
2-[(2R)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]phenyl]sulfonylpyrrolidin-2-yl]ethanol
CID 146228930

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol (CID 11501806) is 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol is CC(O)(c1ccc(S(=O)(=O)N2CCCCC2CCO)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol?
The InChIKey is XANQGJMXIFADFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO4S/c1-15(22,16(17,18)19)12-5-7-14(8-6-12)25(23,24)20-10-3-2-4-13(20)9-11-21/h5-8,13,21-22H,2-4,9-11H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol?
1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol has a molecular weight of 381.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol is sourced from PubChem (CID 11501806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).