4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C18H20N2O4S — CID 2118303

IUPAC4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-14(21)15-2-8-18(9-3-15)25(22,23)19-16-4-6-17(7-5-16)20-10-12-24-13-11-20/h2-9,19H,10-13H2,1H3
InChIKeyGNOMIQANUINIGR-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.53
Rot. Bonds5

About 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 2118303) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID2118303
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-14(21)15-2-8-18(9-3-15)25(22,23)19-16-4-6-17(7-5-16)20-10-12-24-13-11-20/h2-9,19H,10-13H2,1H3
InChIKeyGNOMIQANUINIGR-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one
CID 619281
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanone
CID 1428634
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 3240611
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
4-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 1262873
8a-(4-morpholinobenzyl)-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442988
1-(4-{4-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-piperazin-1-yl}-phenyl)-ethanone
CID 644974
N-phenyl-4-piperidin-1-ylsulfonylbenzamide
CID 765575

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 2118303) is 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is GNOMIQANUINIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14(21)15-2-8-18(9-3-15)25(22,23)19-16-4-6-17(7-5-16)20-10-12-24-13-11-20/h2-9,19H,10-13H2,1H3.
What are the key properties of 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2118303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).