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

C17H17N3O3S2 — CID 20923068

IUPACN-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H17N3O3S2/c1-2-20(12-13-6-4-3-5-7-13)25(22,23)17-11-9-15(24-17)14-8-10-16(21)19-18-14/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyQYDAREZHVAVNRQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.71
Rot. Bonds6

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

N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923068) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923068
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H17N3O3S2/c1-2-20(12-13-6-4-3-5-7-13)25(22,23)17-11-9-15(24-17)14-8-10-16(21)19-18-14/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyQYDAREZHVAVNRQ-UHFFFAOYSA-N
XLogP2.71
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923068) is N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is QYDAREZHVAVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-2-20(12-13-6-4-3-5-7-13)25(22,23)17-11-9-15(24-17)14-8-10-16(21)19-18-14/h3-11H,2,12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).