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

C19H18ClN3O3S — CID 53073303

IUPAC6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C19H18ClN3O3S/c1-26-17-4-2-3-15(11-17)12-21-18-9-10-19(23-22-18)27(24,25)13-14-5-7-16(20)8-6-14/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyCWWJCRSLTFTXLW-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.72
Rot. Bonds7

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

6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine (PubChem CID 53073303) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine
PubChem CID53073303
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C19H18ClN3O3S/c1-26-17-4-2-3-15(11-17)12-21-18-9-10-19(23-22-18)27(24,25)13-14-5-7-16(20)8-6-14/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyCWWJCRSLTFTXLW-UHFFFAOYSA-N
XLogP3.72
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-chlorophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyridazin-3-amine
CID 53073308
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
6-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 53073226
6-[(3-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 139521789
3-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 20957372
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
4-chloro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 9111194
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine (CID 53073303) is 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine is COc1cccc(CNc2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)nn2)c1.
What is the InChIKey of 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine?
The InChIKey is CWWJCRSLTFTXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-26-17-4-2-3-15(11-17)12-21-18-9-10-19(23-22-18)27(24,25)13-14-5-7-16(20)8-6-14/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine?
6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine has a molecular weight of 403.89 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylsulfonyl]-N-[(3-methoxyphenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 53073303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).