4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C20H23N3O3S — CID 45281404

IUPAC4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc(C(CN2CCOCC2)NS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H23N3O3S/c1-16-2-6-18(7-3-16)20(15-23-10-12-26-13-11-23)22-27(24,25)19-8-4-17(14-21)5-9-19/h2-9,20,22H,10-13,15H2,1H3
InChIKeyIPDGLTHYDSEWOG-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.22
Rot. Bonds6

About 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 45281404) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID45281404
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1ccc(C(CN2CCOCC2)NS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C20H23N3O3S/c1-16-2-6-18(7-3-16)20(15-23-10-12-26-13-11-23)22-27(24,25)19-8-4-17(14-21)5-9-19/h2-9,20,22H,10-13,15H2,1H3
InChIKeyIPDGLTHYDSEWOG-UHFFFAOYSA-N
XLogP2.22
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 45281404) is 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is Cc1ccc(C(CN2CCOCC2)NS(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is IPDGLTHYDSEWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-16-2-6-18(7-3-16)20(15-23-10-12-26-13-11-23)22-27(24,25)19-8-4-17(14-21)5-9-19/h2-9,20,22H,10-13,15H2,1H3.
What are the key properties of 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 45281404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).