4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide

C18H21N5O3S — CID 113051818

IUPAC4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nn2)no1
InChIInChI=1S/C18H21N5O3S/c1-12-11-17(22-26-12)19-15-9-10-16(21-20-15)23-27(24,25)14-7-5-13(6-8-14)18(2,3)4/h5-11H,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyGYFIZVUWCUIMGR-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.61
Rot. Bonds5

About 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide

4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 113051818) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
PubChem CID113051818
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nn2)no1
InChIInChI=1S/C18H21N5O3S/c1-12-11-17(22-26-12)19-15-9-10-16(21-20-15)23-27(24,25)14-7-5-13(6-8-14)18(2,3)4/h5-11H,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyGYFIZVUWCUIMGR-UHFFFAOYSA-N
XLogP3.61
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113051812
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113051790
5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2436322
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
2,5-dimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113051800
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
CID 113037737
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide (CID 113051818) is 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide is Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nn2)no1.
What is the InChIKey of 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is GYFIZVUWCUIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12-11-17(22-26-12)19-15-9-10-16(21-20-15)23-27(24,25)14-7-5-13(6-8-14)18(2,3)4/h5-11H,1-4H3,(H,21,23)(H,19,20,22).
What are the key properties of 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide?
4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113051818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).