N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide

C20H21N3O5S — CID 56586657

IUPACN-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)N(CCN3CCOCC3)c3ccccc3)ccc21
InChIInChI=1S/C20H21N3O5S/c24-19-17-7-6-16(14-18(17)20(25)21-19)29(26,27)23(15-4-2-1-3-5-15)9-8-22-10-12-28-13-11-22/h1-7,14H,8-13H2,(H,21,24,25)
InChIKeyPFPNZRGFERPKPX-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.10
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide

N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide (PubChem CID 56586657) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide
PubChem CID56586657
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)N(CCN3CCOCC3)c3ccccc3)ccc21
InChIInChI=1S/C20H21N3O5S/c24-19-17-7-6-16(14-18(17)20(25)21-19)29(26,27)23(15-4-2-1-3-5-15)9-8-22-10-12-28-13-11-22/h1-7,14H,8-13H2,(H,21,24,25)
InChIKeyPFPNZRGFERPKPX-UHFFFAOYSA-N
XLogP1.10
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.10
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-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[3,4-c]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)-N-phenylbenzenesulfonamide
CID 59868473
4-[benzenesulfonyl(2-morpholin-4-ylethyl)amino]-2-[(2,3-dioxoaziridin-1-yl)amino]benzoic acid
CID 139908592
N-benzyl-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56587385
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-phenylbenzenesulfonamide
CID 3133092
2-[(1,3-dioxoisoindol-5-yl)sulfonyl-methylamino]benzoic acid
CID 100820388
N-[3-[[3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]phenyl]disulfanyl]phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 89459867
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)naphthalene-2-sulfonamide
CID 90607494
2-[benzenesulfonyl(2-morpholin-4-ylethyl)amino]-6-(oxamoylamino)benzoic acid
CID 70306136
2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]acetic acid
CID 18703604
N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(3-morpholin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-6-sulfonamide
CID 129317850
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
2-[5-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-2,3-dioxoindol-1-yl]acetic acid
CID 86681742

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide (CID 56586657) is N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide is O=C1NC(=O)c2cc(S(=O)(=O)N(CCN3CCOCC3)c3ccccc3)ccc21.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
The InChIKey is PFPNZRGFERPKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c24-19-17-7-6-16(14-18(17)20(25)21-19)29(26,27)23(15-4-2-1-3-5-15)9-8-22-10-12-28-13-11-22/h1-7,14H,8-13H2,(H,21,24,25).
What are the key properties of N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide?
N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide has a molecular weight of 415.47 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1,3-dioxo-N-phenylisoindole-5-sulfonamide is sourced from PubChem (CID 56586657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).