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

C21H24N5O2S+ — CID 7520795

IUPACN-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESC[NH+]1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C21H23N5O2S/c1-25-13-15-26(16-14-25)21-12-11-20(22-23-21)17-7-9-18(10-8-17)24-29(27,28)19-5-3-2-4-6-19/h2-12,24H,13-16H2,1H3/p+1
InChIKeyXDMQQKDMVWBCNA-UHFFFAOYSA-O
MW410.52 g/mol
LogP1.28
Rot. Bonds5

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

N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 7520795) has the molecular formula C21H24N5O2S+ and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID7520795
Molecular FormulaC21H24N5O2S+
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC NameN-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESC[NH+]1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C21H23N5O2S/c1-25-13-15-26(16-14-25)21-12-11-20(22-23-21)17-7-9-18(10-8-17)24-29(27,28)19-5-3-2-4-6-19/h2-12,24H,13-16H2,1H3/p+1
InChIKeyXDMQQKDMVWBCNA-UHFFFAOYSA-O
XLogP1.28
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 7520797
3-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576153
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
4-tert-butyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 121031479
3-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 41006242
4-methoxy-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 26843069
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41006216
2,3-dichloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349100
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 29043584
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26843009
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 30596210
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]naphthalene-1-carboxamide
CID 7593425

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (CID 7520795) is N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is C[NH+]1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nn2)CC1.
What is the InChIKey of N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is XDMQQKDMVWBCNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N5O2S/c1-25-13-15-26(16-14-25)21-12-11-20(22-23-21)17-7-9-18(10-8-17)24-29(27,28)19-5-3-2-4-6-19/h2-12,24H,13-16H2,1H3/p+1.
What are the key properties of N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 410.52 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 7520795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).