4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide

C24H24F2N4O4S — CID 118412381

IUPAC4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
SMILESCOc1cc(F)ccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24F2N4O4S/c1-34-22-12-18(26)6-7-20(22)29-21-13-23(35(27,32)33)28-14-19(21)24(31)30-10-8-16(9-11-30)15-2-4-17(25)5-3-15/h2-7,12-14,16H,8-11H2,1H3,(H,28,29)(H2,27,32,33)
InChIKeyPSFFGPZVQOKQGV-UHFFFAOYSA-N
MW502.54 g/mol
LogP3.78
Rot. Bonds6

About 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide

4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide (PubChem CID 118412381) has the molecular formula C24H24F2N4O4S and a molecular weight of 502.54 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
PubChem CID118412381
Molecular FormulaC24H24F2N4O4S
Molecular Weight502.54 g/mol
Exact Mass502.15
IUPAC Name4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
SMILESCOc1cc(F)ccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H24F2N4O4S/c1-34-22-12-18(26)6-7-20(22)29-21-13-23(35(27,32)33)28-14-19(21)24(31)30-10-8-16(9-11-30)15-2-4-17(25)5-3-15/h2-7,12-14,16H,8-11H2,1H3,(H,28,29)(H2,27,32,33)
InChIKeyPSFFGPZVQOKQGV-UHFFFAOYSA-N
XLogP3.78
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The IUPAC name of 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide (CID 118412381) is 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide.
What is the SMILES notation for 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The canonical SMILES for 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide is COc1cc(F)ccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The InChIKey is PSFFGPZVQOKQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4S/c1-34-22-12-18(26)6-7-20(22)29-21-13-23(35(27,32)33)28-14-19(21)24(31)30-10-8-16(9-11-30)15-2-4-17(25)5-3-15/h2-7,12-14,16H,8-11H2,1H3,(H,28,29)(H2,27,32,33).
What are the key properties of 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide has a molecular weight of 502.54 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide is sourced from PubChem (CID 118412381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).