2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

C14H17N3O2S — CID 110737979

IUPAC2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C)nn2)c(C)c1
InChIInChI=1S/C14H17N3O2S/c1-10-4-7-14(11(2)8-10)20(18,19)15-9-13-6-5-12(3)16-17-13/h4-8,15H,9H2,1-3H3
InChIKeyRJIZMBSQRHIORS-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.88
Rot. Bonds4

About 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (PubChem CID 110737979) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
PubChem CID110737979
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C)nn2)c(C)c1
InChIInChI=1S/C14H17N3O2S/c1-10-4-7-14(11(2)8-10)20(18,19)15-9-13-6-5-12(3)16-17-13/h4-8,15H,9H2,1-3H3
InChIKeyRJIZMBSQRHIORS-UHFFFAOYSA-N
XLogP1.88
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738034
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
2,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207740
3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737987
4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737976
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
2,4-dimethyl-N-(1H-pyrrol-2-ylmethyl)benzenesulfonamide
CID 110873967
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 122262639
2,4-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 19681816
2,4-dimethyl-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 121033847

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (CID 110737979) is 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(C)nn2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is RJIZMBSQRHIORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-4-7-14(11(2)8-10)20(18,19)15-9-13-6-5-12(3)16-17-13/h4-8,15H,9H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110737979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).