N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide

C11H13N3O3S2 — CID 50842581

IUPACN-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)sc1C
InChIInChI=1S/C11H13N3O3S2/c1-3-12-19(16,17)10-6-9(18-7(10)2)8-4-5-11(15)14-13-8/h4-6,12H,3H2,1-2H3,(H,14,15)
InChIKeyDJRWHJAYMSUAFU-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.11
Rot. Bonds4

About N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide

N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide (PubChem CID 50842581) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
PubChem CID50842581
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
SMILESCCNS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)sc1C
InChIInChI=1S/C11H13N3O3S2/c1-3-12-19(16,17)10-6-9(18-7(10)2)8-4-5-11(15)14-13-8/h4-6,12H,3H2,1-2H3,(H,14,15)
InChIKeyDJRWHJAYMSUAFU-UHFFFAOYSA-N
XLogP1.11
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The IUPAC name of N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide (CID 50842581) is N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide is CCNS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)sc1C.
What is the InChIKey of N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
The InChIKey is DJRWHJAYMSUAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-3-12-19(16,17)10-6-9(18-7(10)2)8-4-5-11(15)14-13-8/h4-6,12H,3H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide?
N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 50842581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).