5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide

C14H15F3N2O3S2 — CID 71906077

IUPAC5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C14H15F3N2O3S2/c1-13(2,3)10-4-5-11(23-10)24(21,22)19-9-6-8(14(15,16)17)7-18-12(9)20/h4-7,19H,1-3H3,(H,18,20)
InChIKeyFAIYJIXSCKNNJZ-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.55
Rot. Bonds3

About 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide

5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide (PubChem CID 71906077) has the molecular formula C14H15F3N2O3S2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
PubChem CID71906077
Molecular FormulaC14H15F3N2O3S2
Molecular Weight380.41 g/mol
Exact Mass380.05
IUPAC Name5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C14H15F3N2O3S2/c1-13(2,3)10-4-5-11(23-10)24(21,22)19-9-6-8(14(15,16)17)7-18-12(9)20/h4-7,19H,1-3H3,(H,18,20)
InChIKeyFAIYJIXSCKNNJZ-UHFFFAOYSA-N
XLogP3.55
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide (CID 71906077) is 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1.
What is the InChIKey of 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The InChIKey is FAIYJIXSCKNNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3S2/c1-13(2,3)10-4-5-11(23-10)24(21,22)19-9-6-8(14(15,16)17)7-18-12(9)20/h4-7,19H,1-3H3,(H,18,20).
What are the key properties of 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide has a molecular weight of 380.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71906077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).