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

C25H30N4O3S — CID 27475907

IUPAC4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1C
InChIInChI=1S/C25H30N4O3S/c1-17-11-13-29(14-12-17)25-10-9-22(26-27-25)20-5-7-21(8-6-20)28-33(30,31)24-16-18(2)23(32-4)15-19(24)3/h5-10,15-17,28H,11-14H2,1-4H3
InChIKeyMQFMCFUAABNZLE-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.81
Rot. Bonds6

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

4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 27475907) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID27475907
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1C
InChIInChI=1S/C25H30N4O3S/c1-17-11-13-29(14-12-17)25-10-9-22(26-27-25)20-5-7-21(8-6-20)28-33(30,31)24-16-18(2)23(32-4)15-19(24)3/h5-10,15-17,28H,11-14H2,1-4H3
InChIKeyMQFMCFUAABNZLE-UHFFFAOYSA-N
XLogP4.81
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 41349115
4-methoxy-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 26843069
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
4-tert-butyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 121031479
4-methoxy-2,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299666
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 27262297
3-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 41006242
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 29043611
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402
3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-4-ylpyridazine
CID 25283732

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (CID 27475907) is 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCC(C)CC4)nn3)cc2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is MQFMCFUAABNZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-17-11-13-29(14-12-17)25-10-9-22(26-27-25)20-5-7-21(8-6-20)28-33(30,31)24-16-18(2)23(32-4)15-19(24)3/h5-10,15-17,28H,11-14H2,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 466.61 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 27475907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).