N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide

C20H21N3O2S — CID 987219

IUPACN-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cccc2cccnc12
InChIInChI=1S/C20H21N3O2S/c24-26(25,19-8-4-6-16-7-5-13-21-20(16)19)22-17-9-11-18(12-10-17)23-14-2-1-3-15-23/h4-13,22H,1-3,14-15H2
InChIKeyMMRMMXVTDBOYTG-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.03
Rot. Bonds4

About N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide

N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide (PubChem CID 987219) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide
PubChem CID987219
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cccc2cccnc12
InChIInChI=1S/C20H21N3O2S/c24-26(25,19-8-4-6-16-7-5-13-21-20(16)19)22-17-9-11-18(12-10-17)23-14-2-1-3-15-23/h4-13,22H,1-3,14-15H2
InChIKeyMMRMMXVTDBOYTG-UHFFFAOYSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide (CID 987219) is N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1cccc2cccnc12.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide?
The InChIKey is MMRMMXVTDBOYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-26(25,19-8-4-6-16-7-5-13-21-20(16)19)22-17-9-11-18(12-10-17)23-14-2-1-3-15-23/h4-13,22H,1-3,14-15H2.
What are the key properties of N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide?
N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 987219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).