3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

C22H26N5O2S+ — CID 7520797

IUPAC3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1
InChIInChI=1S/C22H25N5O2S/c1-17-4-3-5-20(16-17)30(28,29)25-19-8-6-18(7-9-19)21-10-11-22(24-23-21)27-14-12-26(2)13-15-27/h3-11,16,25H,12-15H2,1-2H3/p+1
InChIKeyQHXPOOMZOZNAQD-UHFFFAOYSA-O
MW424.55 g/mol
LogP1.59
Rot. Bonds5

About 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 7520797) has the molecular formula C22H26N5O2S+ and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID7520797
Molecular FormulaC22H26N5O2S+
Molecular Weight424.55 g/mol
Exact Mass424.18
IUPAC Name3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1
InChIInChI=1S/C22H25N5O2S/c1-17-4-3-5-20(16-17)30(28,29)25-19-8-6-18(7-9-19)21-10-11-22(24-23-21)27-14-12-26(2)13-15-27/h3-11,16,25H,12-15H2,1-2H3/p+1
InChIKeyQHXPOOMZOZNAQD-UHFFFAOYSA-O
XLogP1.59
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 7520795
3-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576153
3-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 41006242
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41006216
N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 29043595
3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7593450
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 30596210
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26843009
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402
2,3-dichloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349100
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (CID 7520797) is 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CC[NH+](C)CC4)nn3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is QHXPOOMZOZNAQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N5O2S/c1-17-4-3-5-20(16-17)30(28,29)25-19-8-6-18(7-9-19)21-10-11-22(24-23-21)27-14-12-26(2)13-15-27/h3-11,16,25H,12-15H2,1-2H3/p+1.
What are the key properties of 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 424.55 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 7520797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).