3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide

C15H16F3NO3S2 — CID 175789626

IUPAC3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccsc1S(=O)(=O)NCC(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H16F3NO3S2/c1-11-7-8-23-14(11)24(20,21)19-9-13(22-10-15(16,17)18)12-5-3-2-4-6-12/h2-8,13,19H,9-10H2,1H3
InChIKeyKHBQNXBOXCBQRA-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.66
Rot. Bonds7

About 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide

3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 175789626) has the molecular formula C15H16F3NO3S2 and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
PubChem CID175789626
Molecular FormulaC15H16F3NO3S2
Molecular Weight379.43 g/mol
Exact Mass379.05
IUPAC Name3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide
SMILESCc1ccsc1S(=O)(=O)NCC(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H16F3NO3S2/c1-11-7-8-23-14(11)24(20,21)19-9-13(22-10-15(16,17)18)12-5-3-2-4-6-12/h2-8,13,19H,9-10H2,1H3
InChIKeyKHBQNXBOXCBQRA-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide (CID 175789626) is 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide is Cc1ccsc1S(=O)(=O)NCC(OCC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is KHBQNXBOXCBQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3S2/c1-11-7-8-23-14(11)24(20,21)19-9-13(22-10-15(16,17)18)12-5-3-2-4-6-12/h2-8,13,19H,9-10H2,1H3.
What are the key properties of 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide?
3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 379.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 175789626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).