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

C13H15N3O2S — CID 110738003

IUPAC3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(C)nn2)c1
InChIInChI=1S/C13H15N3O2S/c1-10-4-3-5-13(8-10)19(17,18)14-9-12-7-6-11(2)15-16-12/h3-8,14H,9H2,1-2H3
InChIKeyLZPIKIOKPALOMZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.57
Rot. Bonds4

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

3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (PubChem CID 110738003) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
PubChem CID110738003
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccc(C)nn2)c1
InChIInChI=1S/C13H15N3O2S/c1-10-4-3-5-13(8-10)19(17,18)14-9-12-7-6-11(2)15-16-12/h3-8,14H,9H2,1-2H3
InChIKeyLZPIKIOKPALOMZ-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

N-[(6-methylpyridazin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110738037
3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737987
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737979
4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737976
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
CID 110719016
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738034
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3680647
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (CID 110738003) is 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccc(C)nn2)c1.
What is the InChIKey of 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is LZPIKIOKPALOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-4-3-5-13(8-10)19(17,18)14-9-12-7-6-11(2)15-16-12/h3-8,14H,9H2,1-2H3.
What are the key properties of 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
3-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 3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110738003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).