N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide

C16H14FN3O3S2 — CID 16820348

IUPACN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C16H14FN3O3S2/c17-13-5-3-12(4-6-13)14-7-8-15(21)20(19-14)10-9-18-25(22,23)16-2-1-11-24-16/h1-8,11,18H,9-10H2
InChIKeyVPJUHIPQSOJJCY-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.09
Rot. Bonds6

About N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 16820348) has the molecular formula C16H14FN3O3S2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID16820348
Molecular FormulaC16H14FN3O3S2
Molecular Weight379.44 g/mol
Exact Mass379.05
IUPAC NameN-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C16H14FN3O3S2/c17-13-5-3-12(4-6-13)14-7-8-15(21)20(19-14)10-9-18-25(22,23)16-2-1-11-24-16/h1-8,11,18H,9-10H2
InChIKeyVPJUHIPQSOJJCY-UHFFFAOYSA-N
XLogP2.09
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 16820348) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide is O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is VPJUHIPQSOJJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S2/c17-13-5-3-12(4-6-13)14-7-8-15(21)20(19-14)10-9-18-25(22,23)16-2-1-11-24-16/h1-8,11,18H,9-10H2.
What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 379.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16820348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).