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

C24H28N4O3S — CID 22576017

IUPAC4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1C
InChIInChI=1S/C24H28N4O3S/c1-17-15-23(18(2)14-22(17)31-3)32(29,30)27-20-9-7-8-19(16-20)21-10-11-24(26-25-21)28-12-5-4-6-13-28/h7-11,14-16,27H,4-6,12-13H2,1-3H3
InChIKeyOCWGBAPNOSROPE-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.56
Rot. Bonds6

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

4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 22576017) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID22576017
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1C
InChIInChI=1S/C24H28N4O3S/c1-17-15-23(18(2)14-22(17)31-3)32(29,30)27-20-9-7-8-19(16-20)21-10-11-24(26-25-21)28-12-5-4-6-13-28/h7-11,14-16,27H,4-6,12-13H2,1-3H3
InChIKeyOCWGBAPNOSROPE-UHFFFAOYSA-N
XLogP4.56
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 57378375
4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 27475907
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
2-methoxy-5-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595924
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113015961
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7520734
5-chloro-2-methoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30295138
2-ethoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-propan-2-ylbenzenesulfonamide
CID 22576020
N-[4-[[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 41006099
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 22576017) is 4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is OCWGBAPNOSROPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-17-15-23(18(2)14-22(17)31-3)32(29,30)27-20-9-7-8-19(16-20)21-10-11-24(26-25-21)28-12-5-4-6-13-28/h7-11,14-16,27H,4-6,12-13H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 4.56, 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-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22576017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).