3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide

C11H16F3NO3S2 — CID 167906333

IUPAC3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide
SMILESCCC(CC)(NS(=O)(=O)c1sccc1OC)C(F)(F)F
InChIInChI=1S/C11H16F3NO3S2/c1-4-10(5-2,11(12,13)14)15-20(16,17)9-8(18-3)6-7-19-9/h6-7,15H,4-5H2,1-3H3
InChIKeyHEDNBHJBIUFCFR-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.16
Rot. Bonds6

About 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide

3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide (PubChem CID 167906333) has the molecular formula C11H16F3NO3S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide
PubChem CID167906333
Molecular FormulaC11H16F3NO3S2
Molecular Weight331.38 g/mol
Exact Mass331.05
IUPAC Name3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide
SMILESCCC(CC)(NS(=O)(=O)c1sccc1OC)C(F)(F)F
InChIInChI=1S/C11H16F3NO3S2/c1-4-10(5-2,11(12,13)14)15-20(16,17)9-8(18-3)6-7-19-9/h6-7,15H,4-5H2,1-3H3
InChIKeyHEDNBHJBIUFCFR-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide (CID 167906333) is 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide is CCC(CC)(NS(=O)(=O)c1sccc1OC)C(F)(F)F.
What is the InChIKey of 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide?
The InChIKey is HEDNBHJBIUFCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3S2/c1-4-10(5-2,11(12,13)14)15-20(16,17)9-8(18-3)6-7-19-9/h6-7,15H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide?
3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(trifluoromethyl)pentan-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 167906333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).