N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide

C19H24N2O3S — CID 49190772

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-4-10-19(11-5-14)25(22,23)20-17-6-8-18(9-7-17)21-12-15(2)24-16(3)13-21/h4-11,15-16,20H,12-13H2,1-3H3
InChIKeyNJYUUFVLLPHJNP-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 49190772) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID49190772
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-4-10-19(11-5-14)25(22,23)20-17-6-8-18(9-7-17)21-12-15(2)24-16(3)13-21/h4-11,15-16,20H,12-13H2,1-3H3
InChIKeyNJYUUFVLLPHJNP-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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

N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanesulfonamide
CID 7068957
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 110637578
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide
CID 169372256
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 49202639
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376755
N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70839201
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102938730
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-methylbenzenesulfonamide
CID 102935310

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide (CID 49190772) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is NJYUUFVLLPHJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-4-10-19(11-5-14)25(22,23)20-17-6-8-18(9-7-17)21-12-15(2)24-16(3)13-21/h4-11,15-16,20H,12-13H2,1-3H3.
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 49190772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).