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

C11H14N4O2S — CID 6465680

IUPAC1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C11H14N4O2S/c1-9-11(8-15(2)14-9)18(16,17)13-7-10-5-3-4-6-12-10/h3-6,8,13H,7H2,1-2H3
InChIKeyMVXLFNJXDPXVGI-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.60
Rot. Bonds4

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

1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 6465680) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID6465680
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C11H14N4O2S/c1-9-11(8-15(2)14-9)18(16,17)13-7-10-5-3-4-6-12-10/h3-6,8,13H,7H2,1-2H3
InChIKeyMVXLFNJXDPXVGI-UHFFFAOYSA-N
XLogP0.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.60
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-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide (CID 6465680) is 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is MVXLFNJXDPXVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-9-11(8-15(2)14-9)18(16,17)13-7-10-5-3-4-6-12-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.60, 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-(pyridin-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6465680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).