2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C19H24N2O3S — CID 1069413

IUPAC2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-14-12-15(2)19(16(3)13-14)25(22,23)20-17-4-6-18(7-5-17)21-8-10-24-11-9-21/h4-7,12-13,20H,8-11H2,1-3H3
InChIKeyMIRLCRIIZDWNMN-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.25
Rot. Bonds4

About 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 1069413) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID1069413
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-14-12-15(2)19(16(3)13-14)25(22,23)20-17-4-6-18(7-5-17)21-8-10-24-11-9-21/h4-7,12-13,20H,8-11H2,1-3H3
InChIKeyMIRLCRIIZDWNMN-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 775783
4-ethyl-N-[4-(4-methylpiperazino)phenyl]benzenesulfonamide
CID 2747440
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
1-(2,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 35014275
N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
CID 90200813
1-(Mesitylsulfonyl)-4-phenylpiperazine
CID 710597
(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide
CID 711393
N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide
CID 1921979
2,4-dimethyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]benzene-1-sulfonamide
CID 2078255
4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2089202
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2320101

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 1069413) is 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is MIRLCRIIZDWNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-12-15(2)19(16(3)13-14)25(22,23)20-17-4-6-18(7-5-17)21-8-10-24-11-9-21/h4-7,12-13,20H,8-11H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 1069413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).