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

C15H12FN3O3S2 — CID 53134927

IUPACN-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3)c2)n[nH]1
InChIInChI=1S/C15H12FN3O3S2/c16-12-3-1-10(2-4-12)8-17-24(21,22)15-7-11(9-23-15)13-5-6-14(20)19-18-13/h1-7,9,17H,8H2,(H,19,20)
InChIKeyXQLXLRJPRBQBGL-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.12
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 53134927) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID53134927
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3)c2)n[nH]1
InChIInChI=1S/C15H12FN3O3S2/c16-12-3-1-10(2-4-12)8-17-24(21,22)15-7-11(9-23-15)13-5-6-14(20)19-18-13/h1-7,9,17H,8H2,(H,19,20)
InChIKeyXQLXLRJPRBQBGL-UHFFFAOYSA-N
XLogP2.12
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 53134927) is N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3)c2)n[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is XQLXLRJPRBQBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c16-12-3-1-10(2-4-12)8-17-24(21,22)15-7-11(9-23-15)13-5-6-14(20)19-18-13/h1-7,9,17H,8H2,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 365.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53134927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).