2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol

C18H18F3NO3S — CID 11567186

IUPAC2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(F)(F)F
InChIInChI=1S/C18H18F3NO3S/c1-17(23,18(19,20)21)14-8-10-15(11-9-14)26(24,25)22-12-4-6-13-5-2-3-7-16(13)22/h2-3,5,7-11,23H,4,6,12H2,1H3
InChIKeyRRZKHXUSABHZQV-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.60
Rot. Bonds3

About 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 11567186) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID11567186
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(F)(F)F
InChIInChI=1S/C18H18F3NO3S/c1-17(23,18(19,20)21)14-8-10-15(11-9-14)26(24,25)22-12-4-6-13-5-2-3-7-16(13)22/h2-3,5,7-11,23H,4,6,12H2,1H3
InChIKeyRRZKHXUSABHZQV-UHFFFAOYSA-N
XLogP3.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol
CID 11681587
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16548505
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 3483007
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 2129442
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole;ethyl formate
CID 174568433
1-phenylethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 16531627
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol (CID 11567186) is 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is RRZKHXUSABHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-17(23,18(19,20)21)14-8-10-15(11-9-14)26(24,25)22-12-4-6-13-5-2-3-7-16(13)22/h2-3,5,7-11,23H,4,6,12H2,1H3.
What are the key properties of 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 385.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 11567186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).