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

C24H24F2N4O3S — CID 118412317

IUPAC4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
SMILESCc1ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)c(F)c1
InChIInChI=1S/C24H24F2N4O3S/c1-15-2-7-21(20(26)12-15)29-22-13-23(34(27,32)33)28-14-19(22)24(31)30-10-8-17(9-11-30)16-3-5-18(25)6-4-16/h2-7,12-14,17H,8-11H2,1H3,(H,28,29)(H2,27,32,33)
InChIKeyOBQVRDSKSCBHPW-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.08
Rot. Bonds5

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

4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide (PubChem CID 118412317) has the molecular formula C24H24F2N4O3S and a molecular weight of 486.54 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
PubChem CID118412317
Molecular FormulaC24H24F2N4O3S
Molecular Weight486.54 g/mol
Exact Mass486.15
IUPAC Name4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide
SMILESCc1ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)c(F)c1
InChIInChI=1S/C24H24F2N4O3S/c1-15-2-7-21(20(26)12-15)29-22-13-23(34(27,32)33)28-14-19(22)24(31)30-10-8-17(9-11-30)16-3-5-18(25)6-4-16/h2-7,12-14,17H,8-11H2,1H3,(H,28,29)(H2,27,32,33)
InChIKeyOBQVRDSKSCBHPW-UHFFFAOYSA-N
XLogP4.08
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide (CID 118412317) is 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide is Cc1ccc(Nc2cc(S(N)(=O)=O)ncc2C(=O)N2CCC(c3ccc(F)cc3)CC2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
The InChIKey is OBQVRDSKSCBHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3S/c1-15-2-7-21(20(26)12-15)29-22-13-23(34(27,32)33)28-14-19(22)24(31)30-10-8-17(9-11-30)16-3-5-18(25)6-4-16/h2-7,12-14,17H,8-11H2,1H3,(H,28,29)(H2,27,32,33).
What are the key properties of 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide?
4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide has a molecular weight of 486.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridine-2-sulfonamide is sourced from PubChem (CID 118412317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).