4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide

C25H22N4O6S — CID 91410877

IUPAC4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(S(N)(=O)=O)cc5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C25H22N4O6S/c1-35-19-9-4-17-13-29(22(30)21(17)12-19)14-25(23(31)27-24(32)28-25)18-7-2-15(3-8-18)16-5-10-20(11-6-16)36(26,33)34/h2-13,30H,14H2,1H3,(H2,26,33,34)(H2,27,28,31,32)/t25-/m0/s1
InChIKeyALFMJAWVTFNOON-VWLOTQADSA-N
MW506.54 g/mol
LogP2.40
Rot. Bonds6

About 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide

4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide (PubChem CID 91410877) has the molecular formula C25H22N4O6S and a molecular weight of 506.54 g/mol. Its IUPAC name is 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
PubChem CID91410877
Molecular FormulaC25H22N4O6S
Molecular Weight506.54 g/mol
Exact Mass506.13
IUPAC Name4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(S(N)(=O)=O)cc5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C25H22N4O6S/c1-35-19-9-4-17-13-29(22(30)21(17)12-19)14-25(23(31)27-24(32)28-25)18-7-2-15(3-8-18)16-5-10-20(11-6-16)36(26,33)34/h2-13,30H,14H2,1H3,(H2,26,33,34)(H2,27,28,31,32)/t25-/m0/s1
InChIKeyALFMJAWVTFNOON-VWLOTQADSA-N
XLogP2.40
TPSA152.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 91258994
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90714852
5-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-2-carboxamide
CID 91035515
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methylquinolin-6-yl)phenyl]imidazolidine-2,4-dione
CID 91571638
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(2-methyl-1H-imidazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91246364
5-[4-[2-(2-aminoethyl)phenyl]phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90972982
(5R)-5-[4-(2,7-dimethylindazol-5-yl)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90923035
(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2-pyridinyl)phenyl]imidazolidine-2,4-dione
CID 123880370
(5R)-5-[4-(4-hydroxybut-2-ynoxy)phenyl]-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91078725
2-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-4-carboxamide
CID 90865001
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 91518354

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide (CID 91410877) is 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide is COc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(S(N)(=O)=O)cc5)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide?
The InChIKey is ALFMJAWVTFNOON-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22N4O6S/c1-35-19-9-4-17-13-29(22(30)21(17)12-19)14-25(23(31)27-24(32)28-25)18-7-2-15(3-8-18)16-5-10-20(11-6-16)36(26,33)34/h2-13,30H,14H2,1H3,(H2,26,33,34)(H2,27,28,31,32)/t25-/m0/s1.
What are the key properties of 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide?
4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide has a molecular weight of 506.54 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4R)-4-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 91410877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).