N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide

C19H24N2O3S — CID 110637578

IUPACN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3C(C)COCC3C)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-4-10-19(11-5-14)25(22,23)20-17-6-8-18(9-7-17)21-15(2)12-24-13-16(21)3/h4-11,15-16,20H,12-13H2,1-3H3
InChIKeyVHJJSQNNCWEJFC-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 110637578) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID110637578
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3C(C)COCC3C)cc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14-4-10-19(11-5-14)25(22,23)20-17-6-8-18(9-7-17)21-15(2)12-24-13-16(21)3/h4-11,15-16,20H,12-13H2,1-3H3
InChIKeyVHJJSQNNCWEJFC-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

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Related Compounds

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 110637600
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 49190772
4-methyl-N-[4-(oxetan-3-yloxy)phenyl]benzenesulfonamide
CID 169372477
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzenesulfonamide
CID 18197748
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
CID 70598205
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-methylphenyl)-4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 11812032
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
1-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-4-carboxamide
CID 169372256
N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371262

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide (CID 110637578) is N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3C(C)COCC3C)cc2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is VHJJSQNNCWEJFC-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)21-15(2)12-24-13-16(21)3/h4-11,15-16,20H,12-13H2,1-3H3.
What are the key properties of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide?
N-[4-(3,5-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-(3,5-dimethylmorpholin-4-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110637578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).