4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide

C20H18N4O2S — CID 147928416

IUPAC4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4ccn(C)c34)nn2)cc1
InChIInChI=1S/C20H18N4O2S/c1-14-6-8-16(9-7-14)27(25,26)23-19-11-10-18(21-22-19)17-5-3-4-15-12-13-24(2)20(15)17/h3-13H,1-2H3,(H,22,23)
InChIKeyIJJQUAPWDFMKME-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.74
Rot. Bonds4

About 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide

4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide (PubChem CID 147928416) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide
PubChem CID147928416
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4ccn(C)c34)nn2)cc1
InChIInChI=1S/C20H18N4O2S/c1-14-6-8-16(9-7-14)27(25,26)23-19-11-10-18(21-22-19)17-5-3-4-15-12-13-24(2)20(15)17/h3-13H,1-2H3,(H,22,23)
InChIKeyIJJQUAPWDFMKME-UHFFFAOYSA-N
XLogP3.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(E)-{1-[1-(benzenesulfonyl)-1H-indol-3-yl]ethylidene}amino]guanidine
CID 24768514
5-[6-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-1H-indole;4-methylbenzenesulfonic acid
CID 44592755
1-(4-Methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10091389
1-(4-Methyl benzenesulfonyl)-5-(4-ethylpiperazin-1-yl-methyl)-1H-indole
CID 25024332
1-(4-Isopropyl benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-indole
CID 25025118
2,4,6-trimethyl-N-[(2S)-1-[(1-pyridin-3-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
CID 57690906
4-methyl-N-[6-(1-methyl-2,3-dihydroindol-7-yl)pyridazin-3-yl]benzenesulfonamide
CID 140306956
N-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
CID 134817805
N-(2-indol-1-ylethyl)-2,4,6-trimethylbenzenesulfonamide
CID 5084819
N-(2-ethyl-5-indol-1-ylsulfonylphenyl)-1-methylpiperidin-4-amine
CID 71459114
4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide
CID 149094700
N-(6-isoquinolin-8-ylpyridazin-3-yl)-4-methylbenzenesulfonamide
CID 162648702

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide (CID 147928416) is 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccc4ccn(C)c34)nn2)cc1.
What is the InChIKey of 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is IJJQUAPWDFMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-14-6-8-16(9-7-14)27(25,26)23-19-11-10-18(21-22-19)17-5-3-4-15-12-13-24(2)20(15)17/h3-13H,1-2H3,(H,22,23).
What are the key properties of 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide?
4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 147928416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).