4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide

C19H16FN5O2S — CID 86723207

IUPAC4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide
SMILESCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21
InChIInChI=1S/C19H16FN5O2S/c1-2-25-11-22-18-16(10-23-24-19(18)25)13-5-8-17(20)15(9-13)12-3-6-14(7-4-12)28(21,26)27/h3-11H,2H2,1H3,(H2,21,26,27)
InChIKeyHJWSOSQLQQNWPN-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.97
Rot. Bonds4

About 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide

4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide (PubChem CID 86723207) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide
PubChem CID86723207
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide
SMILESCCn1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21
InChIInChI=1S/C19H16FN5O2S/c1-2-25-11-22-18-16(10-23-24-19(18)25)13-5-8-17(20)15(9-13)12-3-6-14(7-4-12)28(21,26)27/h3-11H,2H2,1H3,(H2,21,26,27)
InChIKeyHJWSOSQLQQNWPN-UHFFFAOYSA-N
XLogP2.97
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide (CID 86723207) is 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide is CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(N)(=O)=O)cc4)c3)cnnc21.
What is the InChIKey of 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide?
The InChIKey is HJWSOSQLQQNWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-2-25-11-22-18-16(10-23-24-19(18)25)13-5-8-17(20)15(9-13)12-3-6-14(7-4-12)28(21,26)27/h3-11H,2H2,1H3,(H2,21,26,27).
What are the key properties of 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide?
4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide has a molecular weight of 397.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 86723207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).