N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide

C21H26N4O4S — CID 83273980

IUPACN-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C
InChIInChI=1S/C21H26N4O4S/c1-6-7-12-24(5)30(27,28)19-13-17(9-8-14(19)2)18-10-11-20(26)25(22-18)21-15(3)23-29-16(21)4/h8-11,13H,6-7,12H2,1-5H3
InChIKeyUQAZMGHEFLJGTG-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.23
Rot. Bonds7

About N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide

N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide (PubChem CID 83273980) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
PubChem CID83273980
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C
InChIInChI=1S/C21H26N4O4S/c1-6-7-12-24(5)30(27,28)19-13-17(9-8-14(19)2)18-10-11-20(26)25(22-18)21-15(3)23-29-16(21)4/h8-11,13H,6-7,12H2,1-5H3
InChIKeyUQAZMGHEFLJGTG-UHFFFAOYSA-N
XLogP3.23
TPSA98.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide (CID 83273980) is N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C.
What is the InChIKey of N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is UQAZMGHEFLJGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-6-7-12-24(5)30(27,28)19-13-17(9-8-14(19)2)18-10-11-20(26)25(22-18)21-15(3)23-29-16(21)4/h8-11,13H,6-7,12H2,1-5H3.
What are the key properties of N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide?
N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 83273980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).