N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide

C16H21FN4O2S — CID 113044839

IUPACN-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)nn1
InChIInChI=1S/C16H21FN4O2S/c1-4-5-10-21(3)16-9-8-15(18-19-16)20-24(22,23)14-7-6-13(17)11-12(14)2/h6-9,11H,4-5,10H2,1-3H3,(H,18,20)
InChIKeySKPLGZKXJBOMRZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.96
Rot. Bonds7

About N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide

N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 113044839) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID113044839
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC NameN-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)nn1
InChIInChI=1S/C16H21FN4O2S/c1-4-5-10-21(3)16-9-8-15(18-19-16)20-24(22,23)14-7-6-13(17)11-12(14)2/h6-9,11H,4-5,10H2,1-3H3,(H,18,20)
InChIKeySKPLGZKXJBOMRZ-UHFFFAOYSA-N
XLogP2.96
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(dipropylamino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113045199
N-(5-ethyl-1H-pyrazol-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 112699331
N-[6-(4-fluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113047318
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]-2,4-dimethylbenzenesulfonamide
CID 113050551
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113044074
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113042890
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 113042478

Frequently Asked Questions

What is the IUPAC name of N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide (CID 113044839) is N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide is CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)nn1.
What is the InChIKey of N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is SKPLGZKXJBOMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-4-5-10-21(3)16-9-8-15(18-19-16)20-24(22,23)14-7-6-13(17)11-12(14)2/h6-9,11H,4-5,10H2,1-3H3,(H,18,20).
What are the key properties of N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide?
N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 352.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(methyl)amino]pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 113044839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).