4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide

C20H21N3O4S — CID 24663361

IUPAC4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C#N)cc2)CC(C)O1
InChIInChI=1S/C20H21N3O4S/c1-14-12-23(13-15(2)27-14)20(24)18-5-3-4-6-19(18)22-28(25,26)17-9-7-16(11-21)8-10-17/h3-10,14-15,22H,12-13H2,1-2H3
InChIKeyDQPRFJUWUBIUHI-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.61
Rot. Bonds4

About 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide

4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 24663361) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID24663361
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C#N)cc2)CC(C)O1
InChIInChI=1S/C20H21N3O4S/c1-14-12-23(13-15(2)27-14)20(24)18-5-3-4-6-19(18)22-28(25,26)17-9-7-16(11-21)8-10-17/h3-10,14-15,22H,12-13H2,1-2H3
InChIKeyDQPRFJUWUBIUHI-UHFFFAOYSA-N
XLogP2.61
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butan-2-yl-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663349
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24663333
3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24663379
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 24663378
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 25331350
5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide
CID 24663322
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzonitrile
CID 51197764

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 24663361) is 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide is CC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C#N)cc2)CC(C)O1.
What is the InChIKey of 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is DQPRFJUWUBIUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14-12-23(13-15(2)27-14)20(24)18-5-3-4-6-19(18)22-28(25,26)17-9-7-16(11-21)8-10-17/h3-10,14-15,22H,12-13H2,1-2H3.
What are the key properties of 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide?
4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 399.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24663361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).