4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide

C19H22N2O4S — CID 110405170

IUPAC4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15(22)17-4-8-19(9-5-17)26(23,24)20-14-16-2-6-18(7-3-16)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3
InChIKeyOQAUFZXXKPWAPX-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.20
Rot. Bonds6

About 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide

4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide (PubChem CID 110405170) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
PubChem CID110405170
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-15(22)17-4-8-19(9-5-17)26(23,24)20-14-16-2-6-18(7-3-16)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3
InChIKeyOQAUFZXXKPWAPX-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122319182
N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110405168
methyl 4-[(6-morpholin-4-yl-3-pyridinyl)methylsulfamoyl]benzoate
CID 25469683
4-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 78862459
4-acetyl-N-[[4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl]methyl]benzenesulfonamide
CID 55957914
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
CID 29373491
4-[(2-morpholin-4-yl-4-pyridinyl)methylsulfamoyl]benzamide
CID 55598355
4-acetyl-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640429
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide (CID 110405170) is 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is OQAUFZXXKPWAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-15(22)17-4-8-19(9-5-17)26(23,24)20-14-16-2-6-18(7-3-16)21-10-12-25-13-11-21/h2-9,20H,10-14H2,1H3.
What are the key properties of 4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.20, 6 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)methyl]benzenesulfonamide is sourced from PubChem (CID 110405170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).