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

C24H25FN4O4S — CID 118412616

IUPAC5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide
SMILESCOc1ccccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25FN4O4S/c1-33-22-5-3-2-4-20(22)28-21-14-23(34(26,31)32)27-15-19(21)24(30)29-12-10-17(11-13-29)16-6-8-18(25)9-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,27,28)(H2,26,31,32)
InChIKeySUGAADIHDTZOCL-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.64
Rot. Bonds6

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

5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide (PubChem CID 118412616) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide
PubChem CID118412616
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC Name5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide
SMILESCOc1ccccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H25FN4O4S/c1-33-22-5-3-2-4-20(22)28-21-14-23(34(26,31)32)27-15-19(21)24(30)29-12-10-17(11-13-29)16-6-8-18(25)9-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,27,28)(H2,26,31,32)
InChIKeySUGAADIHDTZOCL-UHFFFAOYSA-N
XLogP3.64
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide?
The IUPAC name of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide (CID 118412616) is 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide.
What is the SMILES notation for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide?
The canonical SMILES for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide is COc1ccccc1Nc1cc(S(N)(=O)=O)ncc1C(=O)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide?
The InChIKey is SUGAADIHDTZOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-33-22-5-3-2-4-20(22)28-21-14-23(34(26,31)32)27-15-19(21)24(30)29-12-10-17(11-13-29)16-6-8-18(25)9-7-16/h2-9,14-15,17H,10-13H2,1H3,(H,27,28)(H2,26,31,32).
What are the key properties of 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide?
5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide has a molecular weight of 484.55 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-4-(2-methoxyanilino)pyridine-2-sulfonamide is sourced from PubChem (CID 118412616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).