4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

C26H32N4O3S — CID 41349115

IUPAC4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)c1C
InChIInChI=1S/C26H32N4O3S/c1-17-12-14-30(15-13-17)25-11-10-23(27-28-25)21-6-8-22(9-7-21)29-34(31,32)24-16-18(2)26(33-5)20(4)19(24)3/h6-11,16-17,29H,12-15H2,1-5H3
InChIKeyUFYUUBBVIGZKCK-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.11
Rot. Bonds6

About 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 41349115) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID41349115
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)c1C
InChIInChI=1S/C26H32N4O3S/c1-17-12-14-30(15-13-17)25-11-10-23(27-28-25)21-6-8-22(9-7-21)29-34(31,32)24-16-18(2)26(33-5)20(4)19(24)3/h6-11,16-17,29H,12-15H2,1-5H3
InChIKeyUFYUUBBVIGZKCK-UHFFFAOYSA-N
XLogP5.11
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (CID 41349115) is 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is COc1c(C)cc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is UFYUUBBVIGZKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-17-12-14-30(15-13-17)25-11-10-23(27-28-25)21-6-8-22(9-7-21)29-34(31,32)24-16-18(2)26(33-5)20(4)19(24)3/h6-11,16-17,29H,12-15H2,1-5H3.
What are the key properties of 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 480.63 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 41349115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).