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

C22H23ClN4O2S — CID 26843087

IUPAC2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCC1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)nn2)CC1
InChIInChI=1S/C22H23ClN4O2S/c1-16-12-14-27(15-13-16)22-11-10-20(24-25-22)17-6-8-18(9-7-17)26-30(28,29)21-5-3-2-4-19(21)23/h2-11,16,26H,12-15H2,1H3
InChIKeyGOZXSBCVNKDLFV-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.83
Rot. Bonds5

About 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (PubChem CID 26843087) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
PubChem CID26843087
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
SMILESCC1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)nn2)CC1
InChIInChI=1S/C22H23ClN4O2S/c1-16-12-14-27(15-13-16)22-11-10-20(24-25-22)17-6-8-18(9-7-17)26-30(28,29)21-5-3-2-4-19(21)23/h2-11,16,26H,12-15H2,1H3
InChIKeyGOZXSBCVNKDLFV-UHFFFAOYSA-N
XLogP4.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide (CID 26843087) is 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is CC1CCN(c2ccc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)nn2)CC1.
What is the InChIKey of 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
The InChIKey is GOZXSBCVNKDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c1-16-12-14-27(15-13-16)22-11-10-20(24-25-22)17-6-8-18(9-7-17)26-30(28,29)21-5-3-2-4-19(21)23/h2-11,16,26H,12-15H2,1H3.
What are the key properties of 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide?
2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide has a molecular weight of 442.97 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 26843087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).