2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide

C14H17N3O4S — CID 42226764

IUPAC2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCn1ncccc1=O
InChIInChI=1S/C14H17N3O4S/c1-11-5-6-12(21-2)13(10-11)22(19,20)16-8-9-17-14(18)4-3-7-15-17/h3-7,10,16H,8-9H2,1-2H3
InChIKeyKKSBGIXPNSHTIA-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.54
Rot. Bonds6

About 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 42226764) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
PubChem CID42226764
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCn1ncccc1=O
InChIInChI=1S/C14H17N3O4S/c1-11-5-6-12(21-2)13(10-11)22(19,20)16-8-9-17-14(18)4-3-7-15-17/h3-7,10,16H,8-9H2,1-2H3
InChIKeyKKSBGIXPNSHTIA-UHFFFAOYSA-N
XLogP0.54
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226767
2,4,5-trimethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226761
2-methoxy-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 99843579
2-ethoxy-N-[2-(6-oxopyridazin-1-yl)ethyl]-5-propan-2-ylbenzenesulfonamide
CID 42226805
4-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzenesulfonamide
CID 30948657
2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588718
2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948572
2-methoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 90539209
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 42226776

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide (CID 42226764) is 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCn1ncccc1=O.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is KKSBGIXPNSHTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-11-5-6-12(21-2)13(10-11)22(19,20)16-8-9-17-14(18)4-3-7-15-17/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 323.37 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42226764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).