2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

C13H15N3O2S — CID 110738034

IUPAC2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2C)nn1
InChIInChI=1S/C13H15N3O2S/c1-10-5-3-4-6-13(10)19(17,18)14-9-12-8-7-11(2)15-16-12/h3-8,14H,9H2,1-2H3
InChIKeyOYKPUPSIMVRZMA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (PubChem CID 110738034) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
PubChem CID110738034
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccccc2C)nn1
InChIInChI=1S/C13H15N3O2S/c1-10-5-3-4-6-13(10)19(17,18)14-9-12-8-7-11(2)15-16-12/h3-8,14H,9H2,1-2H3
InChIKeyOYKPUPSIMVRZMA-UHFFFAOYSA-N
XLogP1.57
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737979
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737976
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318432
3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737987
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
N-[(6-methylpyridazin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110738037
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzenesulfonamide
CID 79238145
2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide
CID 124964234

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (CID 110738034) is 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccccc2C)nn1.
What is the InChIKey of 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is OYKPUPSIMVRZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-5-3-4-6-13(10)19(17,18)14-9-12-8-7-11(2)15-16-12/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110738034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).