N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C14H9F2N3O3S2 — CID 20939795

IUPACN-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)s2)n[nH]1
InChIInChI=1S/C14H9F2N3O3S2/c15-9-2-1-8(7-10(9)16)19-24(21,22)14-6-4-12(23-14)11-3-5-13(20)18-17-11/h1-7,19H,(H,18,20)
InChIKeyJRSQAIDECDAVFS-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.58
Rot. Bonds4

About N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939795) has the molecular formula C14H9F2N3O3S2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939795
Molecular FormulaC14H9F2N3O3S2
Molecular Weight369.37 g/mol
Exact Mass369.01
IUPAC NameN-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)s2)n[nH]1
InChIInChI=1S/C14H9F2N3O3S2/c15-9-2-1-8(7-10(9)16)19-24(21,22)14-6-4-12(23-14)11-3-5-13(20)18-17-11/h1-7,19H,(H,18,20)
InChIKeyJRSQAIDECDAVFS-UHFFFAOYSA-N
XLogP2.58
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20969996
N-(3-nitrophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 24789935
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 45106670
N-(3-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923017
N-(3-fluoro-4-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923059
N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923061
N-(4-fluoro-2-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923065
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923083
6-(5-{[4-(4-Fluorophenyl)piperazin-1-YL]sulfonyl}thiophen-2-YL)-2,3-dihydropyridazin-3-one
CID 20939792
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20939811
N-(2-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-propylthiophene-2-sulfonamide
CID 20939816
N-(2,4-difluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923010

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939795) is N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)s2)n[nH]1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is JRSQAIDECDAVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S2/c15-9-2-1-8(7-10(9)16)19-24(21,22)14-6-4-12(23-14)11-3-5-13(20)18-17-11/h1-7,19H,(H,18,20).
What are the key properties of N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 369.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).