3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide

C20H19N3O4S — CID 109063891

IUPAC3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1)N1CCOCC1
InChIInChI=1S/C20H19N3O4S/c24-20(23-10-12-27-13-11-23)16-5-1-7-17(14-16)28(25,26)22-18-8-2-4-15-6-3-9-21-19(15)18/h1-9,14,22H,10-13H2
InChIKeyCNKBHGGGLWXFGC-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.51
Rot. Bonds4

About 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide

3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 109063891) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
PubChem CID109063891
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1)N1CCOCC1
InChIInChI=1S/C20H19N3O4S/c24-20(23-10-12-27-13-11-23)16-5-1-7-17(14-16)28(25,26)22-18-8-2-4-15-6-3-9-21-19(15)18/h1-9,14,22H,10-13H2
InChIKeyCNKBHGGGLWXFGC-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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Related Compounds

N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176
4-(1,3-diazetidine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 59634919
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
4-(4-benzylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzenesulfonamide
CID 59634843
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)benzenesulfonamide
CID 55821932
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 68531720
morpholin-4-yl-[5-(quinolin-8-ylamino)pyrazin-2-yl]methanone
CID 109276540

Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide (CID 109063891) is 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is CNKBHGGGLWXFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-20(23-10-12-27-13-11-23)16-5-1-7-17(14-16)28(25,26)22-18-8-2-4-15-6-3-9-21-19(15)18/h1-9,14,22H,10-13H2.
What are the key properties of 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide?
3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide 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 3-(morpholine-4-carbonyl)-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 109063891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).