2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide

C11H10F3N3O2S2 — CID 126833361

IUPAC2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)nc2)c(C)s1
InChIInChI=1S/C11H10F3N3O2S2/c1-6-3-9(7(2)20-6)21(18,19)17-8-4-15-10(16-5-8)11(12,13)14/h3-5,17H,1-2H3
InChIKeyNJMJSJJXXRTYMU-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.97
Rot. Bonds3

About 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide

2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide (PubChem CID 126833361) has the molecular formula C11H10F3N3O2S2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
PubChem CID126833361
Molecular FormulaC11H10F3N3O2S2
Molecular Weight337.35 g/mol
Exact Mass337.02
IUPAC Name2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)nc2)c(C)s1
InChIInChI=1S/C11H10F3N3O2S2/c1-6-3-9(7(2)20-6)21(18,19)17-8-4-15-10(16-5-8)11(12,13)14/h3-5,17H,1-2H3
InChIKeyNJMJSJJXXRTYMU-UHFFFAOYSA-N
XLogP2.97
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
N-tert-butyl-2,5-dimethylthiophene-3-sulfonamide
CID 16640089
5-bromo-2-methyl-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 104856695
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 42545354
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
CID 97239246
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
N-[4-(2-hydroxyethyl)phenyl]-2,5-dimethylthiophene-3-sulfonamide
CID 61221447
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide (CID 126833361) is 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)nc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide?
The InChIKey is NJMJSJJXXRTYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S2/c1-6-3-9(7(2)20-6)21(18,19)17-8-4-15-10(16-5-8)11(12,13)14/h3-5,17H,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide has a molecular weight of 337.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(trifluoromethyl)pyrimidin-5-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 126833361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).