2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide

C15H17ClN4O2S — CID 113039063

IUPAC2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)nn1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2S/c16-12-6-2-3-7-13(12)23(21,22)19-14-8-9-15(18-17-14)20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-11H2,(H,17,19)
InChIKeyMEOVYMPTZKULPX-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.92
Rot. Bonds4

About 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide

2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide (PubChem CID 113039063) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
PubChem CID113039063
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)nn1)c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2S/c16-12-6-2-3-7-13(12)23(21,22)19-14-8-9-15(18-17-14)20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-11H2,(H,17,19)
InChIKeyMEOVYMPTZKULPX-UHFFFAOYSA-N
XLogP2.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113045122
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzenesulfonamide
CID 16942206
3-(dimethylsulfamoylamino)-6-piperidin-1-ylpyridazine
CID 113039016
2,5-dimethoxy-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113039038
N-(6-morpholin-4-ylpyridazin-3-yl)benzenesulfonamide
CID 2999131
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
2,3-dichloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349100
2-chloro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 71790187
N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113043896
N-[6-(azepan-1-yl)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113045406
N-(6-pyrrolidin-1-ylpyridazin-3-yl)propane-1-sulfonamide
CID 113038761
2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide (CID 113039063) is 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCCCC2)nn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide?
The InChIKey is MEOVYMPTZKULPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c16-12-6-2-3-7-13(12)23(21,22)19-14-8-9-15(18-17-14)20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-11H2,(H,17,19).
What are the key properties of 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide?
2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide has a molecular weight of 352.85 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-piperidin-1-ylpyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 113039063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).