4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide

C19H20N4O2S — CID 16942030

IUPAC4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C19H20N4O2S/c1-14-3-7-16(8-4-14)13-20-18-11-12-19(22-21-18)23-26(24,25)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFSNWHRANVPPTSZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.51
Rot. Bonds6

About 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide

4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 16942030) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
PubChem CID16942030
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C19H20N4O2S/c1-14-3-7-16(8-4-14)13-20-18-11-12-19(22-21-18)23-26(24,25)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFSNWHRANVPPTSZ-UHFFFAOYSA-N
XLogP3.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine
CID 113041130
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 162643157
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113041807
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113039369

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide (CID 16942030) is 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide is Cc1ccc(CNc2ccc(NS(=O)(=O)c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is FSNWHRANVPPTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14-3-7-16(8-4-14)13-20-18-11-12-19(22-21-18)23-26(24,25)17-9-5-15(2)6-10-17/h3-12H,13H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 16942030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).