3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide

C22H24N4O3S — CID 57378375

IUPAC3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1
InChIInChI=1S/C22H24N4O3S/c1-29-19-9-6-10-20(16-19)30(27,28)25-18-8-5-7-17(15-18)21-11-12-22(24-23-21)26-13-3-2-4-14-26/h5-12,15-16,25H,2-4,13-14H2,1H3
InChIKeyKIZGLOURXBCKMM-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.94
Rot. Bonds6

About 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide

3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 57378375) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID57378375
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1
InChIInChI=1S/C22H24N4O3S/c1-29-19-9-6-10-20(16-19)30(27,28)25-18-8-5-7-17(15-18)21-11-12-22(24-23-21)26-13-3-2-4-14-26/h5-12,15-16,25H,2-4,13-14H2,1H3
InChIKeyKIZGLOURXBCKMM-UHFFFAOYSA-N
XLogP3.94
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 43991414
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
N-[4-[[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 41006099
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7520734
8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
CID 30595881
3-fluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 30595877
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
2,4-dimethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 26843026
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
3-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576153

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 57378375) is 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is KIZGLOURXBCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-29-19-9-6-10-20(16-19)30(27,28)25-18-8-5-7-17(15-18)21-11-12-22(24-23-21)26-13-3-2-4-14-26/h5-12,15-16,25H,2-4,13-14H2,1H3.
What are the key properties of 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 424.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 57378375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).