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

C11H14N4O2S — CID 6467759

IUPAC1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C11H14N4O2S/c1-9-11(8-15(2)14-9)18(16,17)13-7-10-4-3-5-12-6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyISFNDJSEBBCRFD-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.60
Rot. Bonds4

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

1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 6467759) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID6467759
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1cccnc1
InChIInChI=1S/C11H14N4O2S/c1-9-11(8-15(2)14-9)18(16,17)13-7-10-4-3-5-12-6-10/h3-6,8,13H,7H2,1-2H3
InChIKeyISFNDJSEBBCRFD-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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Related Compounds

4-(5-Methyl-2-pirazolino)-3-pyridinesulfonamide
CID 46704077
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
4-[1-(4-Methylsulfonylphenyl)pyrazol-4-yl]pyridine
CID 3620985
N-methyl-1-[5-(2-methyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
CID 25002636
1-[1-(benzenesulfonyl)-5-pyridin-3-ylpyrrol-3-yl]-N-methylmethanamine
CID 66925169
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 25172066
(4R,6S)-4,6-diethyl-7,7-difluoro-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine
CID 46890819
4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
4-(3,4,5-Trimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355560

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide (CID 6467759) is 1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCc1cccnc1.
What is the InChIKey of 1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is ISFNDJSEBBCRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-9-11(8-15(2)14-9)18(16,17)13-7-10-4-3-5-12-6-10/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(pyridin-3-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-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6467759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).