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

C16H15N3O3S2 — CID 20923015

IUPACN-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C16H15N3O3S2/c1-2-19(12-6-4-3-5-7-12)24(21,22)16-11-9-14(23-16)13-8-10-15(20)18-17-13/h3-11H,2H2,1H3,(H,18,20)
InChIKeyHOURQMIVAGJDTM-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.71
Rot. Bonds5

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

N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide (PubChem CID 20923015) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
PubChem CID20923015
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C16H15N3O3S2/c1-2-19(12-6-4-3-5-7-12)24(21,22)16-11-9-14(23-16)13-8-10-15(20)18-17-13/h3-11H,2H2,1H3,(H,18,20)
InChIKeyHOURQMIVAGJDTM-UHFFFAOYSA-N
XLogP2.71
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-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-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The IUPAC name of N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide (CID 20923015) is N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The InChIKey is HOURQMIVAGJDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-2-19(12-6-4-3-5-7-12)24(21,22)16-11-9-14(23-16)13-8-10-15(20)18-17-13/h3-11H,2H2,1H3,(H,18,20).
What are the key properties of N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide has a molecular weight of 361.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 20923015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).