CID 134791125

C18H15F3N2O3S — CID 134791125

IUPAC—
SMILESO=C1Nc2ccccc2CC12CN([S+](=O)([O-])c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)13-5-3-6-14(8-13)27(25,26)23-10-17(11-23)9-12-4-1-2-7-15(12)22-16(17)24/h1-8H,9-11H2,(H-,22,24,25,26)
InChIKeyQXKVFVVXCPDYHX-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.11
Rot. Bonds2

About CID 134791125

CID 134791125 (PubChem CID 134791125) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol.

Molecular Properties

Compound NameCID 134791125
PubChem CID134791125
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC Name—
SMILESO=C1Nc2ccccc2CC12CN([S+](=O)([O-])c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)13-5-3-6-14(8-13)27(25,26)23-10-17(11-23)9-12-4-1-2-7-15(12)22-16(17)24/h1-8H,9-11H2,(H-,22,24,25,26)
InChIKeyQXKVFVVXCPDYHX-UHFFFAOYSA-N
XLogP3.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 134794097
CID 134794097
1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134791811
CID 134793777
CID 134793777
1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
CID 134790038
ethane;1'-(4-methylphenyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 145015123
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740606
CID 134797681
CID 134797681
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
CID 134794506
1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
CID 134787611
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
CID 134801955
CID 134801955
6-tert-butylspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
CID 166091607

Frequently Asked Questions

What is the IUPAC name of CID 134791125?
The IUPAC name of CID 134791125 (CID 134791125) is not available.
What is the SMILES notation for CID 134791125?
The canonical SMILES for CID 134791125 is O=C1Nc2ccccc2CC12CN([S+](=O)([O-])c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of CID 134791125?
The InChIKey is QXKVFVVXCPDYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c19-18(20,21)13-5-3-6-14(8-13)27(25,26)23-10-17(11-23)9-12-4-1-2-7-15(12)22-16(17)24/h1-8H,9-11H2,(H-,22,24,25,26).
What are the key properties of CID 134791125?
CID 134791125 has a molecular weight of 396.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134791125 is sourced from PubChem (CID 134791125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).