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

C10H13N3O2S2 — CID 19682470

IUPAC1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C10H13N3O2S2/c1-8-10(7-13(2)12-8)17(14,15)11-6-9-4-3-5-16-9/h3-5,7,11H,6H2,1-2H3
InChIKeyWZSSZRXFDXBFFS-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.27
Rot. Bonds4

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

1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 19682470) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID19682470
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C10H13N3O2S2/c1-8-10(7-13(2)12-8)17(14,15)11-6-9-4-3-5-16-9/h3-5,7,11H,6H2,1-2H3
InChIKeyWZSSZRXFDXBFFS-UHFFFAOYSA-N
XLogP1.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (CID 19682470) is 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is WZSSZRXFDXBFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-8-10(7-13(2)12-8)17(14,15)11-6-9-4-3-5-16-9/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19682470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).