4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide

C17H24N4O2S — CID 113038031

IUPAC4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCC(C)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C17H24N4O2S/c1-12(2)18-15-10-11-16(20-19-15)21-24(22,23)14-8-6-13(7-9-14)17(3,4)5/h6-12H,1-5H3,(H,18,19)(H,20,21)
InChIKeyNGEDEHGKXLMTFP-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.40
Rot. Bonds5

About 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide

4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113038031) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113038031
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCC(C)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C17H24N4O2S/c1-12(2)18-15-10-11-16(20-19-15)21-24(22,23)14-8-6-13(7-9-14)17(3,4)5/h6-12H,1-5H3,(H,18,19)(H,20,21)
InChIKeyNGEDEHGKXLMTFP-UHFFFAOYSA-N
XLogP3.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037996
N-[6-(benzylamino)pyridazin-3-yl]-4-tert-butylbenzenesulfonamide
CID 113040855
4-tert-butyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzenesulfonamide
CID 113051818
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
4-tert-butyl-N-[6-(N-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046015
N-[5-(butan-2-ylamino)-2-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113024340
N-[6-(propan-2-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113037989
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
N-[6-(propan-2-ylamino)pyridazin-3-yl]propane-1-sulfonamide
CID 113037990
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
4-methoxy-2-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038004

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide (CID 113038031) is 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide is CC(C)Nc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is NGEDEHGKXLMTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12(2)18-15-10-11-16(20-19-15)21-24(22,23)14-8-6-13(7-9-14)17(3,4)5/h6-12H,1-5H3,(H,18,19)(H,20,21).
What are the key properties of 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide?
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113038031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).