N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide

C18H18N4O2S — CID 113040931

IUPACN-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)c2ccccc2)nn1
InChIInChI=1S/C18H18N4O2S/c1-14-7-5-6-8-15(14)13-19-17-11-12-18(21-20-17)22-25(23,24)16-9-3-2-4-10-16/h2-12H,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyOLCOEPMXIIRUAJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.20
Rot. Bonds6

About N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide

N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 113040931) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
PubChem CID113040931
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccccc1CNc1ccc(NS(=O)(=O)c2ccccc2)nn1
InChIInChI=1S/C18H18N4O2S/c1-14-7-5-6-8-15(14)13-19-17-11-12-18(21-20-17)22-25(23,24)16-9-3-2-4-10-16/h2-12H,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyOLCOEPMXIIRUAJ-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

N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-1H-pyrazole-4-sulfonamide
CID 113040954
4-methoxy-2-methyl-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040944
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 16942030
N-[6-(2-phenylethylamino)pyridazin-3-yl]benzenesulfonamide
CID 16941820
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046608
N-[6-(benzylamino)pyridazin-3-yl]-4-chloro-3-methylbenzenesulfonamide
CID 113040848
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011637

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide (CID 113040931) is N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide is Cc1ccccc1CNc1ccc(NS(=O)(=O)c2ccccc2)nn1.
What is the InChIKey of N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is OLCOEPMXIIRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-14-7-5-6-8-15(14)13-19-17-11-12-18(21-20-17)22-25(23,24)16-9-3-2-4-10-16/h2-12H,13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide 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-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113040931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).