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

C14H10FN3O3S2 — CID 53134891

IUPACN-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)Nc3cccc(F)c3)c2)n[nH]1
InChIInChI=1S/C14H10FN3O3S2/c15-10-2-1-3-11(7-10)18-23(20,21)14-6-9(8-22-14)12-4-5-13(19)17-16-12/h1-8,18H,(H,17,19)
InChIKeyMQZHEBALABGAKA-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.44
Rot. Bonds4

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

N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134891) has the molecular formula C14H10FN3O3S2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134891
Molecular FormulaC14H10FN3O3S2
Molecular Weight351.38 g/mol
Exact Mass351.01
IUPAC NameN-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)Nc3cccc(F)c3)c2)n[nH]1
InChIInChI=1S/C14H10FN3O3S2/c15-10-2-1-3-11(7-10)18-23(20,21)14-6-9(8-22-14)12-4-5-13(19)17-16-12/h1-8,18H,(H,17,19)
InChIKeyMQZHEBALABGAKA-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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53134891) is N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2csc(S(=O)(=O)Nc3cccc(F)c3)c2)n[nH]1.
What is the InChIKey of N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is MQZHEBALABGAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S2/c15-10-2-1-3-11(7-10)18-23(20,21)14-6-9(8-22-14)12-4-5-13(19)17-16-12/h1-8,18H,(H,17,19).
What are the key properties of N-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(3-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-(3-fluorophenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).