4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide

C26H25N3O5S — CID 108781141

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C26H25N3O5S/c30-25-23-3-1-2-4-24(23)26(31)29(25)18-20-7-11-22(12-8-20)35(32,33)27-21-9-5-19(6-10-21)17-28-13-15-34-16-14-28/h1-12,27H,13-18H2
InChIKeyQLFOPHZBAUTYTK-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.12
Rot. Bonds7

About 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 108781141) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
PubChem CID108781141
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C26H25N3O5S/c30-25-23-3-1-2-4-24(23)26(31)29(25)18-20-7-11-22(12-8-20)35(32,33)27-21-9-5-19(6-10-21)17-28-13-15-34-16-14-28/h1-12,27H,13-18H2
InChIKeyQLFOPHZBAUTYTK-UHFFFAOYSA-N
XLogP3.12
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-yl-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 112773326
N-(3-chlorophenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 17016382
1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
CID 83085852
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 91819596
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-methylbenzenesulfonamide
CID 71579439
6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
CID 108754514
3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315
N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]benzenesulfonamide
CID 46943286
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
3-morpholin-4-yl-1,4-dioxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 25048263
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
CID 55814511
4-chloro-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981476

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide (CID 108781141) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide is O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is QLFOPHZBAUTYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c30-25-23-3-1-2-4-24(23)26(31)29(25)18-20-7-11-22(12-8-20)35(32,33)27-21-9-5-19(6-10-21)17-28-13-15-34-16-14-28/h1-12,27H,13-18H2.
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 491.57 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 108781141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).