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

C14H9ClFN3O3S2 — CID 20923061

IUPACN-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)n[nH]1
InChIInChI=1S/C14H9ClFN3O3S2/c15-9-7-8(1-2-10(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)
InChIKeyJXNBSKAVUYXYIW-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.09
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20923061) has the molecular formula C14H9ClFN3O3S2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20923061
Molecular FormulaC14H9ClFN3O3S2
Molecular Weight385.83 g/mol
Exact Mass384.98
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)n[nH]1
InChIInChI=1S/C14H9ClFN3O3S2/c15-9-7-8(1-2-10(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)
InChIKeyJXNBSKAVUYXYIW-UHFFFAOYSA-N
XLogP3.09
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.09
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
5-chloro-N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)thiophene-2-sulfonamide
CID 18588420
5-chloro-N-[4-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 18588440
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-(4-fluoro-2-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923065
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20922995
N-(2,4-difluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923010
N-(3,4-difluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939795
N-(2-chloro-5-fluorophenyl)-2-methyl-5-(1-methyl-6-oxopyridazin-3-yl)thiophene-3-sulfonamide
CID 50842290
N-(2,5-difluorophenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 53134865

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20923061) is N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)n[nH]1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is JXNBSKAVUYXYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O3S2/c15-9-7-8(1-2-10(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-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 385.83 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20923061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).