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

C18H18N4O3S — CID 113048363

IUPACN-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13-4-3-5-16(12-13)26(23,24)22-18-11-10-17(20-21-18)19-14-6-8-15(25-2)9-7-14/h3-12H,1-2H3,(H,19,20)(H,21,22)
InChIKeyRDHPODYDLCVVGP-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.34
Rot. Bonds6

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

N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide (PubChem CID 113048363) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
PubChem CID113048363
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13-4-3-5-16(12-13)26(23,24)22-18-11-10-17(20-21-18)19-14-6-8-15(25-2)9-7-14/h3-12H,1-2H3,(H,19,20)(H,21,22)
InChIKeyRDHPODYDLCVVGP-UHFFFAOYSA-N
XLogP3.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045894
4-chloro-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048349
N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113048355
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982764
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 113051596
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113028450
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-4-methoxybenzenesulfonamide
CID 16802161
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide (CID 113048363) is N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide is COc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)cc1.
What is the InChIKey of N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide?
The InChIKey is RDHPODYDLCVVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-4-3-5-16(12-13)26(23,24)22-18-11-10-17(20-21-18)19-14-6-8-15(25-2)9-7-14/h3-12H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide?
N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113048363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).