N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C16H23N3O3S2 — CID 20923009

IUPACN,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C16H23N3O3S2/c1-3-5-11-19(12-6-4-2)24(21,22)16-10-8-14(23-16)13-7-9-15(20)18-17-13/h7-10H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyOWIYTWHCHUOAOU-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.09
Rot. Bonds9

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

N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923009) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923009
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC NameN,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C16H23N3O3S2/c1-3-5-11-19(12-6-4-2)24(21,22)16-10-8-14(23-16)13-7-9-15(20)18-17-13/h7-10H,3-6,11-12H2,1-2H3,(H,18,20)
InChIKeyOWIYTWHCHUOAOU-UHFFFAOYSA-N
XLogP3.09
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dibutyl-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

Related Compounds

6-[5-({4-[(3-isopropoxypropyl)(methyl)amino]piperidino}sulfonyl)-2-thienyl]-3(2H)-pyridazinone
CID 20939799
3-[5-[4-[3-ethoxypropyl(methyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 20939800
N-(2-Methoxyethyl)-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939862
N-Butyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)-N-[(thiophen-2-YL)methyl]thiophene-2-sulfonamide
CID 20939863
5-(6-oxo-1H-pyridazin-3-yl)-N-(1-thiophen-2-ylbutyl)thiophene-2-sulfonamide
CID 20970046
6-[5-({4-[Methyl(propan-2-YL)amino]piperidin-1-YL}sulfonyl)thiophen-2-YL]-2,3-dihydropyridazin-3-one
CID 20939822
2-fluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882023
4-fluoro-N-{3-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]propyl}benzene-1-sulfonamide
CID 25882024
N-cyclohexyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 6624608
N-[2-(cyclohexen-1-yl)ethyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20922994
N,N-bis(2-methylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923044
N-butyl-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923054

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923009) is N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is OWIYTWHCHUOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c1-3-5-11-19(12-6-4-2)24(21,22)16-10-8-14(23-16)13-7-9-15(20)18-17-13/h7-10H,3-6,11-12H2,1-2H3,(H,18,20).
What are the key properties of N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 369.51 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).