1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide

C16H11F3N2O3S — CID 14548124

IUPAC1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2ccc3ccccc3n2)c1)C(F)(F)F
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)25(22,23)21-12-5-3-6-13(10-12)24-15-9-8-11-4-1-2-7-14(11)20-15/h1-10,21H
InChIKeyQZMHJVRXPVAYKT-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.29
Rot. Bonds4

About 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide

1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide (PubChem CID 14548124) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide
PubChem CID14548124
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC Name1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2ccc3ccccc3n2)c1)C(F)(F)F
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)25(22,23)21-12-5-3-6-13(10-12)24-15-9-8-11-4-1-2-7-14(11)20-15/h1-10,21H
InChIKeyQZMHJVRXPVAYKT-UHFFFAOYSA-N
XLogP4.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide (CID 14548124) is 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide is O=S(=O)(Nc1cccc(Oc2ccc3ccccc3n2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide?
The InChIKey is QZMHJVRXPVAYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c17-16(18,19)25(22,23)21-12-5-3-6-13(10-12)24-15-9-8-11-4-1-2-7-14(11)20-15/h1-10,21H.
What are the key properties of 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide?
1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(3-quinolin-2-yloxyphenyl)methanesulfonamide is sourced from PubChem (CID 14548124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).