5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide

C12H14F3N3O2S2 — CID 23548851

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C12H14F3N3O2S2/c1-7(2)17-22(19,20)11-5-4-9(21-11)8-6-10(12(13,14)15)16-18(8)3/h4-7,17H,1-3H3
InChIKeyCOBPHEOBSHMSPK-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.85
Rot. Bonds4

About 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 23548851) has the molecular formula C12H14F3N3O2S2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID23548851
Molecular FormulaC12H14F3N3O2S2
Molecular Weight353.39 g/mol
Exact Mass353.05
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1
InChIInChI=1S/C12H14F3N3O2S2/c1-7(2)17-22(19,20)11-5-4-9(21-11)8-6-10(12(13,14)15)16-18(8)3/h4-7,17H,1-3H3
InChIKeyCOBPHEOBSHMSPK-UHFFFAOYSA-N
XLogP2.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide (CID 23548851) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is COBPHEOBSHMSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S2/c1-7(2)17-22(19,20)11-5-4-9(21-11)8-6-10(12(13,14)15)16-18(8)3/h4-7,17H,1-3H3.
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide?
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 353.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 23548851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).