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

C20H24N3O3S+ — CID 8844547

IUPAC4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)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/p+1/t20-/m0/s1
InChIKeyIPDGLTHYDSEWOG-FQEVSTJZSA-O
MW386.50 g/mol
LogP0.80
Rot. Bonds6

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

4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide (PubChem CID 8844547) has the molecular formula C20H24N3O3S+ and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
PubChem CID8844547
Molecular FormulaC20H24N3O3S+
Molecular Weight386.50 g/mol
Exact Mass386.15
IUPAC Name4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)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/p+1/t20-/m0/s1
InChIKeyIPDGLTHYDSEWOG-FQEVSTJZSA-O
XLogP0.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 8844443
N-[4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]sulfamoyl]phenyl]acetamide
CID 8844418
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 8844550
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896
4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845032
3,4-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844996
(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide
CID 8844490
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
2-methoxy-5-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845179
2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144508
4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 60602522
4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356188

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide (CID 8844547) is 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide is Cc1ccc([C@H](C[NH+]2CCOCC2)NS(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
The InChIKey is IPDGLTHYDSEWOG-FQEVSTJZSA-O. 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/p+1/t20-/m0/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide?
4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide has a molecular weight of 386.50 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 8844547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).