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

C18H18FN3O3S2 — CID 41241434

IUPAC5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)s1
InChIInChI=1S/C18H18FN3O3S2/c1-2-15-7-10-18(26-15)27(24,25)20-11-12-22-17(23)9-8-16(21-22)13-3-5-14(19)6-4-13/h3-10,20H,2,11-12H2,1H3
InChIKeyZXCYSMDWRMJKNV-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.65
Rot. Bonds7

About 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 41241434) has the molecular formula C18H18FN3O3S2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID41241434
Molecular FormulaC18H18FN3O3S2
Molecular Weight407.49 g/mol
Exact Mass407.08
IUPAC Name5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)s1
InChIInChI=1S/C18H18FN3O3S2/c1-2-15-7-10-18(26-15)27(24,25)20-11-12-22-17(23)9-8-16(21-22)13-3-5-14(19)6-4-13/h3-10,20H,2,11-12H2,1H3
InChIKeyZXCYSMDWRMJKNV-UHFFFAOYSA-N
XLogP2.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 41241434) is 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)s1.
What is the InChIKey of 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is ZXCYSMDWRMJKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S2/c1-2-15-7-10-18(26-15)27(24,25)20-11-12-22-17(23)9-8-16(21-22)13-3-5-14(19)6-4-13/h3-10,20H,2,11-12H2,1H3.
What are the key properties of 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 407.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 41241434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).