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

C14H19N3O3S2 — CID 20939788

IUPACN-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C14H19N3O3S2/c1-3-5-10-17(4-2)22(19,20)14-9-7-12(21-14)11-6-8-13(18)16-15-11/h6-9H,3-5,10H2,1-2H3,(H,16,18)
InChIKeyMNLPSRAXUDMJFA-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.31
Rot. Bonds7

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

N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939788) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939788
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C14H19N3O3S2/c1-3-5-10-17(4-2)22(19,20)14-9-7-12(21-14)11-6-8-13(18)16-15-11/h6-9H,3-5,10H2,1-2H3,(H,16,18)
InChIKeyMNLPSRAXUDMJFA-UHFFFAOYSA-N
XLogP2.31
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939788) is N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CCCCN(CC)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is MNLPSRAXUDMJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-3-5-10-17(4-2)22(19,20)14-9-7-12(21-14)11-6-8-13(18)16-15-11/h6-9H,3-5,10H2,1-2H3,(H,16,18).
What are the key properties of N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 341.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).