3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C18H22N2O3S — CID 7938968

IUPAC3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-14-3-8-18(13-15(14)2)24(21,22)19-16-4-6-17(7-5-16)20-9-11-23-12-10-20/h3-8,13,19H,9-12H2,1-2H3
InChIKeyYEZCYINLCLDHHB-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.94
Rot. Bonds4

About 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 7938968) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID7938968
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C
InChIInChI=1S/C18H22N2O3S/c1-14-3-8-18(13-15(14)2)24(21,22)19-16-4-6-17(7-5-16)20-9-11-23-12-10-20/h3-8,13,19H,9-12H2,1-2H3
InChIKeyYEZCYINLCLDHHB-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.94
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-[(3,4-Dimethylphenyl)sulfonyl]-4-phenylpiperazine
CID 786037
4-ethyl-N-[4-(4-methylpiperazino)phenyl]benzenesulfonamide
CID 2747440
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
Morpholine, 4-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CID 658467
4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2118303
N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
CID 90200813
(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide
CID 711393
N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide
CID 1921979
4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2089202
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2320101
1-(3,4-dimethylphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 2524092

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 7938968) is 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is YEZCYINLCLDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-3-8-18(13-15(14)2)24(21,22)19-16-4-6-17(7-5-16)20-9-11-23-12-10-20/h3-8,13,19H,9-12H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 7938968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).