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

C11H15N3O2S2 — CID 3243813

IUPAC1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C11H15N3O2S2/c1-8-11(9(2)14(3)13-8)18(15,16)12-7-10-5-4-6-17-10/h4-6,12H,7H2,1-3H3
InChIKeyJZDQVVWDOFQKNX-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.58
Rot. Bonds4

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

1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 3243813) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID3243813
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C11H15N3O2S2/c1-8-11(9(2)14(3)13-8)18(15,16)12-7-10-5-4-6-17-10/h4-6,12H,7H2,1-3H3
InChIKeyJZDQVVWDOFQKNX-UHFFFAOYSA-N
XLogP1.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.58
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-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (CID 3243813) is 1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is JZDQVVWDOFQKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-8-11(9(2)14(3)13-8)18(15,16)12-7-10-5-4-6-17-10/h4-6,12H,7H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.58, 4 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-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 3243813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).