4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C20H23N3O4S — CID 55352588

IUPAC4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(C#N)cc2)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-26-18-6-4-17(5-7-18)20(23-10-12-27-13-11-23)15-22-28(24,25)19-8-2-16(14-21)3-9-19/h2-9,20,22H,10-13,15H2,1H3
InChIKeyFQOLBILCUABVHJ-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.92
Rot. Bonds7

About 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 55352588) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID55352588
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(C#N)cc2)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O4S/c1-26-18-6-4-17(5-7-18)20(23-10-12-27-13-11-23)15-22-28(24,25)19-8-2-16(14-21)3-9-19/h2-9,20,22H,10-13,15H2,1H3
InChIKeyFQOLBILCUABVHJ-UHFFFAOYSA-N
XLogP1.92
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169277
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
N-[2-(4-cyanophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275453
4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine
CID 112502616
4-[(2S)-2-hydroxy-3-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]propoxy]benzonitrile
CID 30741074
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 30836035
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098
4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16553768
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 55352588) is 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is COc1ccc(C(CNS(=O)(=O)c2ccc(C#N)cc2)N2CCOCC2)cc1.
What is the InChIKey of 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is FQOLBILCUABVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-26-18-6-4-17(5-7-18)20(23-10-12-27-13-11-23)15-22-28(24,25)19-8-2-16(14-21)3-9-19/h2-9,20,22H,10-13,15H2,1H3.
What are the key properties of 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 55352588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).