6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine

C20H20ClN3O4S — CID 53073308

IUPAC6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)cc1OC
InChIInChI=1S/C20H20ClN3O4S/c1-27-17-8-5-15(11-18(17)28-2)12-22-19-9-10-20(24-23-19)29(25,26)13-14-3-6-16(21)7-4-14/h3-11H,12-13H2,1-2H3,(H,22,23)
InChIKeyUELLQXCIUIQAMO-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.73
Rot. Bonds8

About 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine

6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine (PubChem CID 53073308) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine
PubChem CID53073308
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1ccc(CNc2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)cc1OC
InChIInChI=1S/C20H20ClN3O4S/c1-27-17-8-5-15(11-18(17)28-2)12-22-19-9-10-20(24-23-19)29(25,26)13-14-3-6-16(21)7-4-14/h3-11H,12-13H2,1-2H3,(H,22,23)
InChIKeyUELLQXCIUIQAMO-UHFFFAOYSA-N
XLogP3.73
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine
CID 53073303
4-N-[(4-chlorophenyl)methyl]-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917979
6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridazin-3-amine
CID 6412777
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-ethylbutanamide
CID 113043351
2-N-(4-chlorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112922750
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 99956217
1-cyclopropyl-3-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]urea
CID 113043387
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086176

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine (CID 53073308) is 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine is COc1ccc(CNc2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)cc1OC.
What is the InChIKey of 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine?
The InChIKey is UELLQXCIUIQAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-27-17-8-5-15(11-18(17)28-2)12-22-19-9-10-20(24-23-19)29(25,26)13-14-3-6-16(21)7-4-14/h3-11H,12-13H2,1-2H3,(H,22,23).
What are the key properties of 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine?
6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine has a molecular weight of 433.92 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 53073308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).