(11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene

C20H20N2O2S — CID 132574425

IUPAC(11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene
SMILESCc1ccc(S(=O)(=O)N2c3cc4ccccc4n3[C@H]3CCC[C@@H]32)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-9-11-16(12-10-14)25(23,24)22-19-8-4-7-18(19)21-17-6-3-2-5-15(17)13-20(21)22/h2-3,5-6,9-13,18-19H,4,7-8H2,1H3/t18-,19-/m0/s1
InChIKeyGQYLNJRSLSPGEN-OALUTQOASA-N
MW352.46 g/mol
LogP4.25
Rot. Bonds2

About (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene

(11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene (PubChem CID 132574425) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene.

Molecular Properties

Compound Name(11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene
PubChem CID132574425
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene
SMILESCc1ccc(S(=O)(=O)N2c3cc4ccccc4n3[C@H]3CCC[C@@H]32)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-9-11-16(12-10-14)25(23,24)22-19-8-4-7-18(19)21-17-6-3-2-5-15(17)13-20(21)22/h2-3,5-6,9-13,18-19H,4,7-8H2,1H3/t18-,19-/m0/s1
InChIKeyGQYLNJRSLSPGEN-OALUTQOASA-N
XLogP4.25
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene 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

2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
(3aR,9aR)-9-(4-methylphenyl)sulfonyl-2,3,3a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzothiazine
CID 44598734
(1S,2R,6S)-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.1.0]heptan-2-ol
CID 102032381
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
(5aR,10aR)-11-(4-methylphenyl)sulfonyl-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine
CID 44597020
2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
CID 53320345
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
(1S,2R,6S)-2-methoxy-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 101370816
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 139694978
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
(5aR,10aR)-11-(4-methylphenyl)sulfonyl-2-phenyl-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzoxazine
CID 101470149

Frequently Asked Questions

What is the IUPAC name of (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene?
The IUPAC name of (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene (CID 132574425) is (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene.
What is the SMILES notation for (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene?
The canonical SMILES for (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene is Cc1ccc(S(=O)(=O)N2c3cc4ccccc4n3[C@H]3CCC[C@@H]32)cc1.
What is the InChIKey of (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene?
The InChIKey is GQYLNJRSLSPGEN-OALUTQOASA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-9-11-16(12-10-14)25(23,24)22-19-8-4-7-18(19)21-17-6-3-2-5-15(17)13-20(21)22/h2-3,5-6,9-13,18-19H,4,7-8H2,1H3/t18-,19-/m0/s1.
What are the key properties of (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene?
(11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene has a molecular weight of 352.46 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S,15S)-10-(4-methylphenyl)sulfonyl-1,10-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8-tetraene is sourced from PubChem (CID 132574425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).