3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide

C20H23N5O2S — CID 113042890

IUPAC3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N(C)CCc3ccncc3)nn2)cc1C
InChIInChI=1S/C20H23N5O2S/c1-15-4-5-18(14-16(15)2)28(26,27)24-19-6-7-20(23-22-19)25(3)13-10-17-8-11-21-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,22,24)
InChIKeyUNJWPPZFTYFTLD-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.97
Rot. Bonds7

About 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide

3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 113042890) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide
PubChem CID113042890
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N(C)CCc3ccncc3)nn2)cc1C
InChIInChI=1S/C20H23N5O2S/c1-15-4-5-18(14-16(15)2)28(26,27)24-19-6-7-20(23-22-19)25(3)13-10-17-8-11-21-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,22,24)
InChIKeyUNJWPPZFTYFTLD-UHFFFAOYSA-N
XLogP2.97
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042844
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 113041327
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042823
4-fluoro-N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028585
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]benzenesulfonamide
CID 113028583
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109115358
N-(5-methyl-1,2-oxazol-3-yl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122658
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide (CID 113042890) is 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N(C)CCc3ccncc3)nn2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is UNJWPPZFTYFTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-15-4-5-18(14-16(15)2)28(26,27)24-19-6-7-20(23-22-19)25(3)13-10-17-8-11-21-12-9-17/h4-9,11-12,14H,10,13H2,1-3H3,(H,22,24).
What are the key properties of 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide?
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113042890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).