N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide

C18H24N4O2S — CID 27262297

IUPACN,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccc(N3CCC(C)CC3)nn2)ccc1C
InChIInChI=1S/C18H24N4O2S/c1-13-8-10-22(11-9-13)18-7-6-16(20-21-18)15-5-4-14(2)17(12-15)25(23,24)19-3/h4-7,12-13,19H,8-11H2,1-3H3
InChIKeyWYNCUMYYBYSGPB-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.60
Rot. Bonds4

About N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide

N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide (PubChem CID 27262297) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
PubChem CID27262297
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(-c2ccc(N3CCC(C)CC3)nn2)ccc1C
InChIInChI=1S/C18H24N4O2S/c1-13-8-10-22(11-9-13)18-7-6-16(20-21-18)15-5-4-14(2)17(12-15)25(23,24)19-3/h4-7,12-13,19H,8-11H2,1-3H3
InChIKeyWYNCUMYYBYSGPB-UHFFFAOYSA-N
XLogP2.60
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2,5-dimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 27475907
5-[6-(cyclohexylamino)pyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
CID 27262288
4-methoxy-2,3,5-trimethyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 41349115
1-[6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyridazin-3-yl]azepane
CID 53104590
4-tert-butyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 121031479
5-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 27260550
3-chloro-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 41006242
3-fluoro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 30595891
4-methoxy-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 26843069
3-(4-methylpiperidin-1-yl)-6-(4-nitrophenyl)pyridazine
CID 155759066
3-(4-methylpiperidin-1-yl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121052901
2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010183

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide (CID 27262297) is N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide is CNS(=O)(=O)c1cc(-c2ccc(N3CCC(C)CC3)nn2)ccc1C.
What is the InChIKey of N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is WYNCUMYYBYSGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-8-10-22(11-9-13)18-7-6-16(20-21-18)15-5-4-14(2)17(12-15)25(23,24)19-3/h4-7,12-13,19H,8-11H2,1-3H3.
What are the key properties of N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide?
N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 27262297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).