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

C14H10FN3O3S2 — CID 53134890

IUPACN-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)Nc3ccccc3F)c2)n[nH]1
InChIInChI=1S/C14H10FN3O3S2/c15-10-3-1-2-4-12(10)18-23(20,21)14-7-9(8-22-14)11-5-6-13(19)17-16-11/h1-8,18H,(H,17,19)
InChIKeyJRWJGMQKWNEUCF-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.44
Rot. Bonds4

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

N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134890) has the molecular formula C14H10FN3O3S2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134890
Molecular FormulaC14H10FN3O3S2
Molecular Weight351.38 g/mol
Exact Mass351.01
IUPAC NameN-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)Nc3ccccc3F)c2)n[nH]1
InChIInChI=1S/C14H10FN3O3S2/c15-10-3-1-2-4-12(10)18-23(20,21)14-7-9(8-22-14)11-5-6-13(19)17-16-11/h1-8,18H,(H,17,19)
InChIKeyJRWJGMQKWNEUCF-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-[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]-4-fluoroaniline
CID 6300314
N-[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline
CID 6138821
N-(4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20969996
5-(6-Oxo-1,6-dihydropyridazin-3-YL)-N-(5,6,7,8-tetrahydronaphthalen-1-YL)thiophene-2-sulfonamide
CID 20923078
N-benzyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 45106660
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 45106670
N-[(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]-4-fluoroaniline
CID 5204362
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-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-propylthiophene-2-sulfonamide
CID 20939816

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53134890) is N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2csc(S(=O)(=O)Nc3ccccc3F)c2)n[nH]1.
What is the InChIKey of N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is JRWJGMQKWNEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S2/c15-10-3-1-2-4-12(10)18-23(20,21)14-7-9(8-22-14)11-5-6-13(19)17-16-11/h1-8,18H,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(2-fluorophenyl)-4-(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-(2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).