4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide

C16H19ClN4O2S — CID 113039262

IUPAC4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCC1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C16H19ClN4O2S/c1-12-8-10-21(11-9-12)16-7-6-15(18-19-16)20-24(22,23)14-4-2-13(17)3-5-14/h2-7,12H,8-11H2,1H3,(H,18,20)
InChIKeyVYWUKVAYOOUHFQ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.17
Rot. Bonds4

About 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide

4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113039262) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
PubChem CID113039262
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCC1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)CC1
InChIInChI=1S/C16H19ClN4O2S/c1-12-8-10-21(11-9-12)16-7-6-15(18-19-16)20-24(22,23)14-4-2-13(17)3-5-14/h2-7,12H,8-11H2,1H3,(H,18,20)
InChIKeyVYWUKVAYOOUHFQ-UHFFFAOYSA-N
XLogP3.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide (CID 113039262) is 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide is CC1CCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)nn2)CC1.
What is the InChIKey of 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is VYWUKVAYOOUHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-12-8-10-21(11-9-12)16-7-6-15(18-19-16)20-24(22,23)14-4-2-13(17)3-5-14/h2-7,12H,8-11H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113039262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).