N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide

C16H22N4O2S — CID 113044314

IUPACN-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)cc1C
InChIInChI=1S/C16H22N4O2S/c1-11-6-7-13(10-12(11)2)23(21,22)20-15-9-8-14(18-19-15)17-16(3,4)5/h6-10H,1-5H3,(H,17,18)(H,19,20)
InChIKeyYXQNHSZNWFDFCC-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.10
Rot. Bonds4

About N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide

N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 113044314) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID113044314
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)cc1C
InChIInChI=1S/C16H22N4O2S/c1-11-6-7-13(10-12(11)2)23(21,22)20-15-9-8-14(18-19-15)17-16(3,4)5/h6-10H,1-5H3,(H,17,18)(H,19,20)
InChIKeyYXQNHSZNWFDFCC-UHFFFAOYSA-N
XLogP3.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dichlorobenzenesulfonamide
CID 113044323
N-[6-(tert-butylamino)pyridazin-3-yl]-3-chloro-4-methoxybenzenesulfonamide
CID 113044338
N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113041506
N-[6-(tert-butylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113044335
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113039373
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113048599
4-methoxy-3-methyl-N-[6-(2-methylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038524
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 62354753

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide (CID 113044314) is N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(C)(C)C)nn2)cc1C.
What is the InChIKey of N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is YXQNHSZNWFDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-6-7-13(10-12(11)2)23(21,22)20-15-9-8-14(18-19-15)17-16(3,4)5/h6-10H,1-5H3,(H,17,18)(H,19,20).
What are the key properties of N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide?
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 334.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 113044314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).