2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide

C11H13N5O2S — CID 106897636

IUPAC2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCc2cccnn2)ccn1
InChIInChI=1S/C11H13N5O2S/c1-12-11-7-10(4-6-13-11)19(17,18)15-8-9-3-2-5-14-16-9/h2-7,15H,8H2,1H3,(H,12,13)
InChIKeyQLLSCTXQCFAGJZ-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.39
Rot. Bonds5

About 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide

2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide (PubChem CID 106897636) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
PubChem CID106897636
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCc2cccnn2)ccn1
InChIInChI=1S/C11H13N5O2S/c1-12-11-7-10(4-6-13-11)19(17,18)15-8-9-3-2-5-14-16-9/h2-7,15H,8H2,1H3,(H,12,13)
InChIKeyQLLSCTXQCFAGJZ-UHFFFAOYSA-N
XLogP0.39
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
4-fluoro-3-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089510
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106304083
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164890
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106896703
N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164415
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
1-ethyl-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyrrole-3-sulfonamide
CID 106089558
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide (CID 106897636) is 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NCc2cccnn2)ccn1.
What is the InChIKey of 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide?
The InChIKey is QLLSCTXQCFAGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-12-11-7-10(4-6-13-11)19(17,18)15-8-9-3-2-5-14-16-9/h2-7,15H,8H2,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide?
2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide has a molecular weight of 279.33 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 106897636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).