N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide

C20H19N3O4S — CID 1179220

IUPACN-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1cccc2cccnc12)N1CCOCC1
InChIInChI=1S/C20H19N3O4S/c24-20(23-11-13-27-14-12-23)16-7-1-2-8-17(16)22-28(25,26)18-9-3-5-15-6-4-10-21-19(15)18/h1-10,22H,11-14H2
InChIKeyYDYOSXWFRYFOAO-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide

N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide (PubChem CID 1179220) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide
PubChem CID1179220
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1cccc2cccnc12)N1CCOCC1
InChIInChI=1S/C20H19N3O4S/c24-20(23-11-13-27-14-12-23)16-7-1-2-8-17(16)22-28(25,26)18-9-3-5-15-6-4-10-21-19(15)18/h1-10,22H,11-14H2
InChIKeyYDYOSXWFRYFOAO-UHFFFAOYSA-N
XLogP2.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide (CID 1179220) is N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1cccc2cccnc12)N1CCOCC1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is YDYOSXWFRYFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-20(23-11-13-27-14-12-23)16-7-1-2-8-17(16)22-28(25,26)18-9-3-5-15-6-4-10-21-19(15)18/h1-10,22H,11-14H2.
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide?
N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 397.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 1179220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).