N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide

C18H18N4O2S — CID 16942022

IUPACN-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nn2)cc1
InChIInChI=1S/C18H18N4O2S/c1-14-7-9-16(10-8-14)25(23,24)22-18-12-11-17(20-21-18)19-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyYBDXBQOENSIXSU-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.20
Rot. Bonds6

About N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide

N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide (PubChem CID 16942022) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
PubChem CID16942022
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nn2)cc1
InChIInChI=1S/C18H18N4O2S/c1-14-7-9-16(10-8-14)25(23,24)22-18-12-11-17(20-21-18)19-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyYBDXBQOENSIXSU-UHFFFAOYSA-N
XLogP3.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
N-[6-(2-ethylphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 162643157
3-(dimethylsulfamoylamino)-6-[(4-methylphenyl)methylamino]pyridazine
CID 113041130
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
4-chloro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941890
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide (CID 16942022) is N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3)nn2)cc1.
What is the InChIKey of N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is YBDXBQOENSIXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-14-7-9-16(10-8-14)25(23,24)22-18-12-11-17(20-21-18)19-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide?
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 16942022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).