N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide

C18H18N4O2S — CID 113046608

IUPACN-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nn2)c1C
InChIInChI=1S/C18H18N4O2S/c1-13-7-6-10-16(14(13)2)19-17-11-12-18(21-20-17)22-25(23,24)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,19,20)(H,21,22)
InChIKeySFNYAAYFFZEKNY-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.64
Rot. Bonds5

About N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide

N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113046608) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113046608
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nn2)c1C
InChIInChI=1S/C18H18N4O2S/c1-13-7-6-10-16(14(13)2)19-17-11-12-18(21-20-17)22-25(23,24)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,19,20)(H,21,22)
InChIKeySFNYAAYFFZEKNY-UHFFFAOYSA-N
XLogP3.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
3-chloro-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046629
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
N-[6-(2-methylanilino)pyridazin-3-yl]methanesulfonamide
CID 113045649
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050545
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113047218
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-ethylbenzenesulfonamide
CID 113047417
N-[6-(2-chloroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113047413
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide (CID 113046608) is N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nn2)c1C.
What is the InChIKey of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is SFNYAAYFFZEKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-7-6-10-16(14(13)2)19-17-11-12-18(21-20-17)22-25(23,24)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide?
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dimethylanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113046608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).