8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide

C25H26N4O3S — CID 30595881

IUPAC8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
SMILESO=C1CCCc2ccc(S(=O)(=O)Nc3cccc(-c4ccc(N5CCCCC5)nn4)c3)cc21
InChIInChI=1S/C25H26N4O3S/c30-24-9-5-6-18-10-11-21(17-22(18)24)33(31,32)28-20-8-4-7-19(16-20)23-12-13-25(27-26-23)29-14-2-1-3-15-29/h4,7-8,10-13,16-17,28H,1-3,5-6,9,14-15H2
InChIKeyCKTHPJBQAHOMSA-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.45
Rot. Bonds5

About 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide

8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide (PubChem CID 30595881) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide.

Molecular Properties

Compound Name8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
PubChem CID30595881
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
SMILESO=C1CCCc2ccc(S(=O)(=O)Nc3cccc(-c4ccc(N5CCCCC5)nn4)c3)cc21
InChIInChI=1S/C25H26N4O3S/c30-24-9-5-6-18-10-11-21(17-22(18)24)33(31,32)28-20-8-4-7-19(16-20)23-12-13-25(27-26-23)29-14-2-1-3-15-29/h4,7-8,10-13,16-17,28H,1-3,5-6,9,14-15H2
InChIKeyCKTHPJBQAHOMSA-UHFFFAOYSA-N
XLogP4.45
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.45
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
3-methoxy-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 57378375
N-[4-[[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 41006099
3-fluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 30595877
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7520734
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
CID 16873819
2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 22576015
N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 30596210
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
3-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576153

Frequently Asked Questions

What is the IUPAC name of 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The IUPAC name of 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide (CID 30595881) is 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide.
What is the SMILES notation for 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The canonical SMILES for 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide is O=C1CCCc2ccc(S(=O)(=O)Nc3cccc(-c4ccc(N5CCCCC5)nn4)c3)cc21.
What is the InChIKey of 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The InChIKey is CKTHPJBQAHOMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c30-24-9-5-6-18-10-11-21(17-22(18)24)33(31,32)28-20-8-4-7-19(16-20)23-12-13-25(27-26-23)29-14-2-1-3-15-29/h4,7-8,10-13,16-17,28H,1-3,5-6,9,14-15H2.
What are the key properties of 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?
8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide has a molecular weight of 462.58 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide is sourced from PubChem (CID 30595881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).