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

C14H9ClFN3O3S2 — CID 53134938

IUPACN-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)Nc3ccc(Cl)cc3F)c2)n[nH]1
InChIInChI=1S/C14H9ClFN3O3S2/c15-9-1-2-12(10(16)6-9)19-24(21,22)14-5-8(7-23-14)11-3-4-13(20)18-17-11/h1-7,19H,(H,18,20)
InChIKeySZOHRGJHXDVUDY-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.09
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134938) has the molecular formula C14H9ClFN3O3S2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134938
Molecular FormulaC14H9ClFN3O3S2
Molecular Weight385.83 g/mol
Exact Mass384.98
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)Nc3ccc(Cl)cc3F)c2)n[nH]1
InChIInChI=1S/C14H9ClFN3O3S2/c15-9-1-2-12(10(16)6-9)19-24(21,22)14-5-8(7-23-14)11-3-4-13(20)18-17-11/h1-7,19H,(H,18,20)
InChIKeySZOHRGJHXDVUDY-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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53134938) is N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2csc(S(=O)(=O)Nc3ccc(Cl)cc3F)c2)n[nH]1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is SZOHRGJHXDVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O3S2/c15-9-1-2-12(10(16)6-9)19-24(21,22)14-5-8(7-23-14)11-3-4-13(20)18-17-11/h1-7,19H,(H,18,20).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(4-chloro-2-fluorophenyl)-4-(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-(4-chloro-2-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).