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

C16H13N3O4S2 — CID 20923047

IUPACN-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1
InChIInChI=1S/C16H13N3O4S2/c1-10(20)11-3-2-4-12(9-11)19-25(22,23)16-8-6-14(24-16)13-5-7-15(21)18-17-13/h2-9,19H,1H3,(H,18,21)
InChIKeyYATCACOLSVFIAR-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.50
Rot. Bonds5

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

N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923047) has the molecular formula C16H13N3O4S2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923047
Molecular FormulaC16H13N3O4S2
Molecular Weight375.43 g/mol
Exact Mass375.03
IUPAC NameN-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1
InChIInChI=1S/C16H13N3O4S2/c1-10(20)11-3-2-4-12(9-11)19-25(22,23)16-8-6-14(24-16)13-5-7-15(21)18-17-13/h2-9,19H,1H3,(H,18,21)
InChIKeyYATCACOLSVFIAR-UHFFFAOYSA-N
XLogP2.50
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 46280127
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923062
N-(3-acetylphenyl)-4-(1-methyl-6-oxopyridazin-3-yl)thiophene-2-sulfonamide
CID 53135003
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39769709
3-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]benzoic acid
CID 66799915
N-[4-[[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-2-yl]sulfonylamino]phenyl]acetamide
CID 53083779
(3-acetylphenyl)sulfamic acid
CID 12629151
N-phenyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
CID 53083788
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 20947535
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923047) is N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is YATCACOLSVFIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S2/c1-10(20)11-3-2-4-12(9-11)19-25(22,23)16-8-6-14(24-16)13-5-7-15(21)18-17-13/h2-9,19H,1H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).