2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide

C27H27N3O3S — CID 175932941

IUPAC2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(-c2ccc(N3CCC(O)(c4ccccc4)CC3)c3cccnc23)c1
InChIInChI=1S/C27H27N3O3S/c1-19-9-12-25(34(28,32)33)23(18-19)21-10-11-24(22-8-5-15-29-26(21)22)30-16-13-27(31,14-17-30)20-6-3-2-4-7-20/h2-12,15,18,31H,13-14,16-17H2,1H3,(H2,28,32,33)
InChIKeyUGJNWFFFGRDVBS-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.35
Rot. Bonds4

About 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide

2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 175932941) has the molecular formula C27H27N3O3S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
PubChem CID175932941
Molecular FormulaC27H27N3O3S
Molecular Weight473.60 g/mol
Exact Mass473.18
IUPAC Name2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(-c2ccc(N3CCC(O)(c4ccccc4)CC3)c3cccnc23)c1
InChIInChI=1S/C27H27N3O3S/c1-19-9-12-25(34(28,32)33)23(18-19)21-10-11-24(22-8-5-15-29-26(21)22)30-16-13-27(31,14-17-30)20-6-3-2-4-7-20/h2-12,15,18,31H,13-14,16-17H2,1H3,(H2,28,32,33)
InChIKeyUGJNWFFFGRDVBS-UHFFFAOYSA-N
XLogP4.35
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide (CID 175932941) is 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(-c2ccc(N3CCC(O)(c4ccccc4)CC3)c3cccnc23)c1.
What is the InChIKey of 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is UGJNWFFFGRDVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3S/c1-19-9-12-25(34(28,32)33)23(18-19)21-10-11-24(22-8-5-15-29-26(21)22)30-16-13-27(31,14-17-30)20-6-3-2-4-7-20/h2-12,15,18,31H,13-14,16-17H2,1H3,(H2,28,32,33).
What are the key properties of 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide?
2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 473.60 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 175932941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).