1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide

C15H11F3N2O3S2 — CID 15172034

IUPAC1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide
SMILESO=S(=O)(Nc1csc(OCc2ccc3ccccc3n2)c1)C(F)(F)F
InChIInChI=1S/C15H11F3N2O3S2/c16-15(17,18)25(21,22)20-12-7-14(24-9-12)23-8-11-6-5-10-3-1-2-4-13(10)19-11/h1-7,9,20H,8H2
InChIKeyGYJLSHNRMMHSIK-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.14
Rot. Bonds5

About 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide

1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide (PubChem CID 15172034) has the molecular formula C15H11F3N2O3S2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide
PubChem CID15172034
Molecular FormulaC15H11F3N2O3S2
Molecular Weight388.39 g/mol
Exact Mass388.02
IUPAC Name1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide
SMILESO=S(=O)(Nc1csc(OCc2ccc3ccccc3n2)c1)C(F)(F)F
InChIInChI=1S/C15H11F3N2O3S2/c16-15(17,18)25(21,22)20-12-7-14(24-9-12)23-8-11-6-5-10-3-1-2-4-13(10)19-11/h1-7,9,20H,8H2
InChIKeyGYJLSHNRMMHSIK-UHFFFAOYSA-N
XLogP4.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide (CID 15172034) is 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide is O=S(=O)(Nc1csc(OCc2ccc3ccccc3n2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide?
The InChIKey is GYJLSHNRMMHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S2/c16-15(17,18)25(21,22)20-12-7-14(24-9-12)23-8-11-6-5-10-3-1-2-4-13(10)19-11/h1-7,9,20H,8H2.
What are the key properties of 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide has a molecular weight of 388.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[5-(quinolin-2-ylmethoxy)thiophen-3-yl]methanesulfonamide is sourced from PubChem (CID 15172034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).