4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide

C14H17N3O3S — CID 30948657

IUPAC4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2ncccc2=O)cc1
InChIInChI=1S/C14H17N3O3S/c1-12-5-7-13(8-6-12)21(19,20)16-10-3-11-17-14(18)4-2-9-15-17/h2,4-9,16H,3,10-11H2,1H3
InChIKeyHZBMPLSXOUGPMX-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.92
Rot. Bonds6

About 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide

4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide (PubChem CID 30948657) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
PubChem CID30948657
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCn2ncccc2=O)cc1
InChIInChI=1S/C14H17N3O3S/c1-12-5-7-13(8-6-12)21(19,20)16-10-3-11-17-14(18)4-2-9-15-17/h2,4-9,16H,3,10-11H2,1H3
InChIKeyHZBMPLSXOUGPMX-UHFFFAOYSA-N
XLogP0.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
CID 60530993
4-fluoro-N-[3-(6-oxopyridazin-1-yl)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30948673
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226761
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
4-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207260
N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 42226776
2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948558
3,5-dimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 45496984
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide (CID 30948657) is 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCn2ncccc2=O)cc1.
What is the InChIKey of 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is HZBMPLSXOUGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-12-5-7-13(8-6-12)21(19,20)16-10-3-11-17-14(18)4-2-9-15-17/h2,4-9,16H,3,10-11H2,1H3.
What are the key properties of 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide?
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 30948657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).