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

C14H10FN3O3S2 — CID 20969996

IUPACN-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)n[nH]1
InChIInChI=1S/C14H10FN3O3S2/c15-9-1-3-10(4-2-9)18-23(20,21)14-8-6-12(22-14)11-5-7-13(19)17-16-11/h1-8,18H,(H,17,19)
InChIKeyXREVCSIYHCFION-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.44
Rot. Bonds4

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

N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20969996) has the molecular formula C14H10FN3O3S2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20969996
Molecular FormulaC14H10FN3O3S2
Molecular Weight351.38 g/mol
Exact Mass351.01
IUPAC NameN-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)n[nH]1
InChIInChI=1S/C14H10FN3O3S2/c15-9-1-3-10(4-2-9)18-23(20,21)14-8-6-12(22-14)11-5-7-13(19)17-16-11/h1-8,18H,(H,17,19)
InChIKeyXREVCSIYHCFION-UHFFFAOYSA-N
XLogP2.44
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[(4-fluorophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923055

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20969996) is N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)s2)n[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is XREVCSIYHCFION-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S2/c15-9-1-3-10(4-2-9)18-23(20,21)14-8-6-12(22-14)11-5-7-13(19)17-16-11/h1-8,18H,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 351.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20969996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).