(1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

C22H18Cl2N2O4S — CID 11225317

IUPAC(1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESCc1ccc(S(=O)(=O)N2[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)c(Cl)c6)C(=O)[C@@H]45)[C@@H]32)cc1
InChIInChI=1S/C22H18Cl2N2O4S/c1-10-2-5-12(6-3-10)31(29,30)26-19-13-9-14(20(19)26)18-17(13)21(27)25(22(18)28)11-4-7-15(23)16(24)8-11/h2-8,13-14,17-20H,9H2,1H3/t13-,14+,17-,18+,19+,20-,26?
InChIKeyGWXVYCXFRAAPLS-YLRZPZGASA-N
MW477.37 g/mol
LogP3.50
Rot. Bonds3

About (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

(1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (PubChem CID 11225317) has the molecular formula C22H18Cl2N2O4S and a molecular weight of 477.37 g/mol. Its IUPAC name is (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
PubChem CID11225317
Molecular FormulaC22H18Cl2N2O4S
Molecular Weight477.37 g/mol
Exact Mass476.04
IUPAC Name(1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESCc1ccc(S(=O)(=O)N2[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)c(Cl)c6)C(=O)[C@@H]45)[C@@H]32)cc1
InChIInChI=1S/C22H18Cl2N2O4S/c1-10-2-5-12(6-3-10)31(29,30)26-19-13-9-14(20(19)26)18-17(13)21(27)25(22(18)28)11-4-7-15(23)16(24)8-11/h2-8,13-14,17-20H,9H2,1H3/t13-,14+,17-,18+,19+,20-,26?
InChIKeyGWXVYCXFRAAPLS-YLRZPZGASA-N
XLogP3.50
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,6S,7S,8R,10S)-9-(4-methylphenyl)sulfonyl-4-phenyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 11407172
(1R,2R,6S,7S,8R,10S)-4-(4-bromophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 11271722
(1R,2R,6S,7S,8R,10S)-4-(3-ethylphenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 11373966
(3R)-1-(3,4-dichlorophenyl)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2085480
(1R,2R,6R,7R,8S,10R)-4-(3,4-dichlorophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99723681
(1S,6S,7S,8S,10R)-4-(3-chloro-4-methylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodecane-3,5-dione
CID 69106197
(1R,2S,6R,7S)-4-(3,4-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7120920
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
(1R,2S,6R,7S,8R,10S)-9-(3-chlorophenyl)-4-(4-methylphenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 102129670
(1S,2S,6R,7R)-4-(3,4-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
CID 21481119
(3S,3aS,6aR)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27791823
(1R,2S,4R,5S)-3-(4-methylphenyl)sulfonyl-3-azatricyclo[3.2.1.02,4]octane
CID 11076294

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The IUPAC name of (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (CID 11225317) is (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.
What is the SMILES notation for (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The canonical SMILES for (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is Cc1ccc(S(=O)(=O)N2[C@@H]3[C@H]4C[C@H]([C@H]5C(=O)N(c6ccc(Cl)c(Cl)c6)C(=O)[C@@H]45)[C@@H]32)cc1.
What is the InChIKey of (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The InChIKey is GWXVYCXFRAAPLS-YLRZPZGASA-N. The full InChI is InChI=1S/C22H18Cl2N2O4S/c1-10-2-5-12(6-3-10)31(29,30)26-19-13-9-14(20(19)26)18-17(13)21(27)25(22(18)28)11-4-7-15(23)16(24)8-11/h2-8,13-14,17-20H,9H2,1H3/t13-,14+,17-,18+,19+,20-,26?.
What are the key properties of (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
(1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione has a molecular weight of 477.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S,8R,10S)-4-(3,4-dichlorophenyl)-9-(4-methylphenyl)sulfonyl-4,9-diazatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is sourced from PubChem (CID 11225317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).