N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide

C17H15N3O4S2 — CID 53135003

IUPACN-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c1
InChIInChI=1S/C17H15N3O4S2/c1-11(21)12-4-3-5-14(8-12)19-26(23,24)17-9-13(10-25-17)15-6-7-16(22)20(2)18-15/h3-10,19H,1-2H3
InChIKeyLHYNKXQWZHXOFQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.51
Rot. Bonds5

About N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide

N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53135003) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53135003
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC NameN-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c1
InChIInChI=1S/C17H15N3O4S2/c1-11(21)12-4-3-5-14(8-12)19-26(23,24)17-9-13(10-25-17)15-6-7-16(22)20(2)18-15/h3-10,19H,1-2H3
InChIKeyLHYNKXQWZHXOFQ-UHFFFAOYSA-N
XLogP2.51
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134966
N-(4-methoxyphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53134962
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923047
N-(3-acetylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53104812
N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53075004
N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 50835152
4-(1-ethyl-6-oxopyridazin-3-yl)-N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 53135040
N-(3-acetylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285193
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
(3-acetylphenyl)sulfamic acid
CID 12629151
5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 16831419

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide (CID 53135003) is N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cc(-c3ccc(=O)n(C)n3)cs2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is LHYNKXQWZHXOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c1-11(21)12-4-3-5-14(8-12)19-26(23,24)17-9-13(10-25-17)15-6-7-16(22)20(2)18-15/h3-10,19H,1-2H3.
What are the key properties of N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 389.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53135003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).