5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide

C12H15N5O2S — CID 106089544

IUPAC5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2cccnn2)nc1
InChIInChI=1S/C12H15N5O2S/c1-13-7-10-4-5-12(14-8-10)20(18,19)16-9-11-3-2-6-15-17-11/h2-6,8,13,16H,7,9H2,1H3
InChIKeyOTAGRWDSCSORFR-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.07
Rot. Bonds6

About 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide

5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide (PubChem CID 106089544) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
PubChem CID106089544
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2cccnn2)nc1
InChIInChI=1S/C12H15N5O2S/c1-13-7-10-4-5-12(14-8-10)20(18,19)16-9-11-3-2-6-15-17-11/h2-6,8,13,16H,7,9H2,1H3
InChIKeyOTAGRWDSCSORFR-UHFFFAOYSA-N
XLogP0.07
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089507
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
2,5-dimethyl-4-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089517
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
CID 106897636

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide (CID 106089544) is 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCc2cccnn2)nc1.
What is the InChIKey of 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is OTAGRWDSCSORFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-13-7-10-4-5-12(14-8-10)20(18,19)16-9-11-3-2-6-15-17-11/h2-6,8,13,16H,7,9H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide?
5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106089544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).