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

C12H12BrN3O2S — CID 110737976

IUPAC4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)nn1
InChIInChI=1S/C12H12BrN3O2S/c1-9-2-5-11(16-15-9)8-14-19(17,18)12-6-3-10(13)4-7-12/h2-7,14H,8H2,1H3
InChIKeyMFSZXCKLKAGRBW-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.03
Rot. Bonds4

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

4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (PubChem CID 110737976) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
PubChem CID110737976
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)nn1
InChIInChI=1S/C12H12BrN3O2S/c1-9-2-5-11(16-15-9)8-14-19(17,18)12-6-3-10(13)4-7-12/h2-7,14H,8H2,1H3
InChIKeyMFSZXCKLKAGRBW-UHFFFAOYSA-N
XLogP2.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738040
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
N-[(6-methylpyridazin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110738037
2-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738034
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870998

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide (CID 110737976) is 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)nn1.
What is the InChIKey of 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
The InChIKey is MFSZXCKLKAGRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-9-2-5-11(16-15-9)8-14-19(17,18)12-6-3-10(13)4-7-12/h2-7,14H,8H2,1H3.
What are the key properties of 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide?
4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110737976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).