5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide

C12H15N3O3S2 — CID 42226748

IUPAC5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2ncccc2=O)s1
InChIInChI=1S/C12H15N3O3S2/c1-2-10-5-6-12(19-10)20(17,18)14-8-9-15-11(16)4-3-7-13-15/h3-7,14H,2,8-9H2,1H3
InChIKeyLYWSYJGBTGXKMN-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.85
Rot. Bonds6

About 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 42226748) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID42226748
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2ncccc2=O)s1
InChIInChI=1S/C12H15N3O3S2/c1-2-10-5-6-12(19-10)20(17,18)14-8-9-15-11(16)4-3-7-13-15/h3-7,14H,2,8-9H2,1H3
InChIKeyLYWSYJGBTGXKMN-UHFFFAOYSA-N
XLogP0.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 42226748) is 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCn2ncccc2=O)s1.
What is the InChIKey of 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is LYWSYJGBTGXKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-2-10-5-6-12(19-10)20(17,18)14-8-9-15-11(16)4-3-7-13-15/h3-7,14H,2,8-9H2,1H3.
What are the key properties of 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42226748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).