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

C16H13ClFN3O3S2 — CID 41241436

IUPAC5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H13ClFN3O3S2/c17-14-6-8-16(25-14)26(23,24)19-9-10-21-15(22)7-5-13(20-21)11-1-3-12(18)4-2-11/h1-8,19H,9-10H2
InChIKeyOQKSHCMFAUXSAU-UHFFFAOYSA-N
MW413.88 g/mol
LogP2.74
Rot. Bonds6

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

5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 41241436) has the molecular formula C16H13ClFN3O3S2 and a molecular weight of 413.88 g/mol. Its IUPAC name is 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID41241436
Molecular FormulaC16H13ClFN3O3S2
Molecular Weight413.88 g/mol
Exact Mass413.01
IUPAC Name5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C16H13ClFN3O3S2/c17-14-6-8-16(25-14)26(23,24)19-9-10-21-15(22)7-5-13(20-21)11-1-3-12(18)4-2-11/h1-8,19H,9-10H2
InChIKeyOQKSHCMFAUXSAU-UHFFFAOYSA-N
XLogP2.74
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 41241436) is 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide is O=c1ccc(-c2ccc(F)cc2)nn1CCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is OQKSHCMFAUXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3S2/c17-14-6-8-16(25-14)26(23,24)19-9-10-21-15(22)7-5-13(20-21)11-1-3-12(18)4-2-11/h1-8,19H,9-10H2.
What are the key properties of 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 413.88 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 41241436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).