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

C14H15N3O3S — CID 110738040

IUPAC4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C)nn2)cc1
InChIInChI=1S/C14H15N3O3S/c1-10-3-6-13(17-16-10)9-15-21(19,20)14-7-4-12(5-8-14)11(2)18/h3-8,15H,9H2,1-2H3
InChIKeyIXGAKMXURFTZMW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.47
Rot. Bonds5

About 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide

4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (PubChem CID 110738040) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
PubChem CID110738040
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C)nn2)cc1
InChIInChI=1S/C14H15N3O3S/c1-10-3-6-13(17-16-10)9-15-21(19,20)14-7-4-12(5-8-14)11(2)18/h3-8,15H,9H2,1-2H3
InChIKeyIXGAKMXURFTZMW-UHFFFAOYSA-N
XLogP1.47
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737976
3,4-dichloro-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737987
3,4-dimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737991
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660491
4-acetyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 110731123
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
N-[(6-methylpyridazin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110738037
2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738034
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (CID 110738040) is 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C)nn2)cc1.
What is the InChIKey of 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is IXGAKMXURFTZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-3-6-13(17-16-10)9-15-21(19,20)14-7-4-12(5-8-14)11(2)18/h3-8,15H,9H2,1-2H3.
What are the key properties of 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110738040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).