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

C11H9F3N2O3S2 — CID 21227284

IUPAC5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C11H9F3N2O3S2/c1-6-2-3-9(20-6)21(18,19)16-8-4-7(11(12,13)14)5-15-10(8)17/h2-5,16H,1H3,(H,15,17)
InChIKeyOELHUZFYLABVPM-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.56
Rot. Bonds3

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

5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide (PubChem CID 21227284) has the molecular formula C11H9F3N2O3S2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
PubChem CID21227284
Molecular FormulaC11H9F3N2O3S2
Molecular Weight338.33 g/mol
Exact Mass338.00
IUPAC Name5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1
InChIInChI=1S/C11H9F3N2O3S2/c1-6-2-3-9(20-6)21(18,19)16-8-4-7(11(12,13)14)5-15-10(8)17/h2-5,16H,1H3,(H,15,17)
InChIKeyOELHUZFYLABVPM-UHFFFAOYSA-N
XLogP2.56
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-Ethyl-2-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-thiophene-2-sulfonic acid [2-(3,3-difluoro-pyrrolidin-1-yl)-ethyl]-amide
CID 58808606
5-acetyl-N-(6-fluoro-3-oxo-2H-isoquinolin-7-yl)thiophene-2-sulfonamide
CID 121378539
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
CID 21227276
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 24597811
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 33307334
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47319723
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55543519
5-tert-butyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide
CID 71906077
(E)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 133769734
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 133769778
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 133953221
N-{2-[5-(5-Ethyl-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)thiophene-2-sulfonylamino]ethyl}acetamide
CID 11639567

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide (CID 21227284) is 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
The InChIKey is OELHUZFYLABVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S2/c1-6-2-3-9(20-6)21(18,19)16-8-4-7(11(12,13)14)5-15-10(8)17/h2-5,16H,1H3,(H,15,17).
What are the key properties of 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide?
5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide has a molecular weight of 338.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 21227284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).