2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide

C11H11F2N3O3S2 — CID 154869043

IUPAC2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide
SMILESCc1cnn(C)c1S(=O)(=O)NC(=O)c1ccsc1C(F)F
InChIInChI=1S/C11H11F2N3O3S2/c1-6-5-14-16(2)11(6)21(18,19)15-10(17)7-3-4-20-8(7)9(12)13/h3-5,9H,1-2H3,(H,15,17)
InChIKeyWXRKESDBHRYAQG-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.85
Rot. Bonds4

About 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide

2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide (PubChem CID 154869043) has the molecular formula C11H11F2N3O3S2 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide
PubChem CID154869043
Molecular FormulaC11H11F2N3O3S2
Molecular Weight335.36 g/mol
Exact Mass335.02
IUPAC Name2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide
SMILESCc1cnn(C)c1S(=O)(=O)NC(=O)c1ccsc1C(F)F
InChIInChI=1S/C11H11F2N3O3S2/c1-6-5-14-16(2)11(6)21(18,19)15-10(17)7-3-4-20-8(7)9(12)13/h3-5,9H,1-2H3,(H,15,17)
InChIKeyWXRKESDBHRYAQG-UHFFFAOYSA-N
XLogP1.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide (CID 154869043) is 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide is Cc1cnn(C)c1S(=O)(=O)NC(=O)c1ccsc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide?
The InChIKey is WXRKESDBHRYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3S2/c1-6-5-14-16(2)11(6)21(18,19)15-10(17)7-3-4-20-8(7)9(12)13/h3-5,9H,1-2H3,(H,15,17).
What are the key properties of 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide?
2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(1,4-dimethylpyrazol-5-yl)sulfonylthiophene-3-carboxamide is sourced from PubChem (CID 154869043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).