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

C18H18N4O2S — CID 113045894

IUPAC3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C18H18N4O2S/c1-13-6-8-15(9-7-13)19-17-10-11-18(21-20-17)22-25(23,24)16-5-3-4-14(2)12-16/h3-12H,1-2H3,(H,19,20)(H,21,22)
InChIKeyNLNPDHOHPDZJFJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.64
Rot. Bonds5

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

3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113045894) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113045894
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C18H18N4O2S/c1-13-6-8-15(9-7-13)19-17-10-11-18(21-20-17)22-25(23,24)16-5-3-4-14(2)12-16/h3-12H,1-2H3,(H,19,20)(H,21,22)
InChIKeyNLNPDHOHPDZJFJ-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-(4-methoxyanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113048363
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
3-chloro-N-[6-(3,5-dimethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046483
N-[6-(4-ethylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113046757
3-methyl-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113041051
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
3-chloro-N-[6-(4-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046777
3-N,6-N-bis(4-methylphenyl)pyridazine-3,6-diamine
CID 6411430
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide (CID 113045894) is 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)nn2)cc1.
What is the InChIKey of 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is NLNPDHOHPDZJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-13-6-8-15(9-7-13)19-17-10-11-18(21-20-17)22-25(23,24)16-5-3-4-14(2)12-16/h3-12H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide?
3-methyl-N-[6-(4-methylanilino)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 3-methyl-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113045894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).