3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide

C11H9F3N2O3S2 — CID 167846782

IUPAC3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O3S2/c1-19-9-2-3-20-10(9)21(17,18)16-8-4-7(5-15-6-8)11(12,13)14/h2-6,16H,1H3
InChIKeyZCOGEQAUBHAROA-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.97
Rot. Bonds4

About 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide

3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 167846782) has the molecular formula C11H9F3N2O3S2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID167846782
Molecular FormulaC11H9F3N2O3S2
Molecular Weight338.33 g/mol
Exact Mass338.00
IUPAC Name3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)Nc1cncc(C(F)(F)F)c1
InChIInChI=1S/C11H9F3N2O3S2/c1-19-9-2-3-20-10(9)21(17,18)16-8-4-7(5-15-6-8)11(12,13)14/h2-6,16H,1H3
InChIKeyZCOGEQAUBHAROA-UHFFFAOYSA-N
XLogP2.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide (CID 167846782) is 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)Nc1cncc(C(F)(F)F)c1.
What is the InChIKey of 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is ZCOGEQAUBHAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S2/c1-19-9-2-3-20-10(9)21(17,18)16-8-4-7(5-15-6-8)11(12,13)14/h2-6,16H,1H3.
What are the key properties of 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide?
3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 338.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 167846782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).