1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide

C12H17N3O2S2 — CID 71806158

IUPAC1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C12H17N3O2S2/c1-9-12(10(2)15(3)14-9)19(16,17)13-6-4-11-5-7-18-8-11/h5,7-8,13H,4,6H2,1-3H3
InChIKeyTXBOOSNEVLCVEK-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.62
Rot. Bonds5

About 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide (PubChem CID 71806158) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide
PubChem CID71806158
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCc1ccsc1
InChIInChI=1S/C12H17N3O2S2/c1-9-12(10(2)15(3)14-9)19(16,17)13-6-4-11-5-7-18-8-11/h5,7-8,13H,4,6H2,1-3H3
InChIKeyTXBOOSNEVLCVEK-UHFFFAOYSA-N
XLogP1.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide (CID 71806158) is 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCc1ccsc1.
What is the InChIKey of 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is TXBOOSNEVLCVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-9-12(10(2)15(3)14-9)19(16,17)13-6-4-11-5-7-18-8-11/h5,7-8,13H,4,6H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(2-thiophen-3-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71806158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).