N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide

C18H17N3O3S — CID 162646634

IUPACN-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
InChIInChI=1S/C18H17N3O3S/c1-13-7-9-14(10-8-13)25(22,23)21-18-12-11-16(19-20-18)15-5-3-4-6-17(15)24-2/h3-12H,1-2H3,(H,20,21)
InChIKeyPWDCPNJKIPMIGM-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.26
Rot. Bonds5

About N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide

N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide (PubChem CID 162646634) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
PubChem CID162646634
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1
InChIInChI=1S/C18H17N3O3S/c1-13-7-9-14(10-8-13)25(22,23)21-18-12-11-16(19-20-18)15-5-3-4-6-17(15)24-2/h3-12H,1-2H3,(H,20,21)
InChIKeyPWDCPNJKIPMIGM-UHFFFAOYSA-N
XLogP3.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide (CID 162646634) is N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide is COc1ccccc1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)nn1.
What is the InChIKey of N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is PWDCPNJKIPMIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-13-7-9-14(10-8-13)25(22,23)21-18-12-11-16(19-20-18)15-5-3-4-6-17(15)24-2/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide?
N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyphenyl)pyridazin-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 162646634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).