7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene

C24H18N2O4S4 — CID 164674624

IUPAC7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
SMILESCc1ccc(S(=O)(=O)n2c3ccsc3c3c2c2sccc2n3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H18N2O4S4/c1-15-3-7-17(8-4-15)33(27,28)25-19-11-13-31-23(19)22-21(25)24-20(12-14-32-24)26(22)34(29,30)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyLAVTWUWCBKFWPW-UHFFFAOYSA-N
MW526.69 g/mol
LogP5.96
Rot. Bonds4

About 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene

7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene (PubChem CID 164674624) has the molecular formula C24H18N2O4S4 and a molecular weight of 526.69 g/mol. Its IUPAC name is 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene.

Molecular Properties

Compound Name7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
PubChem CID164674624
Molecular FormulaC24H18N2O4S4
Molecular Weight526.69 g/mol
Exact Mass526.01
IUPAC Name7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
SMILESCc1ccc(S(=O)(=O)n2c3ccsc3c3c2c2sccc2n3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H18N2O4S4/c1-15-3-7-17(8-4-15)33(27,28)25-19-11-13-31-23(19)22-21(25)24-20(12-14-32-24)26(22)34(29,30)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyLAVTWUWCBKFWPW-UHFFFAOYSA-N
XLogP5.96
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.69
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene 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

5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
2-[4,6-dimethyl-5-(4-methylphenyl)sulfonyl-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-4,6-dimethyl-5-(4-methylphenyl)sulfonyl-[1,3]dithiolo[4,5-c]pyrrole
CID 139230888
6-(4-methylphenyl)sulfonyl-5,7-dihydrothieno[2,3-c]pyridin-4-one
CID 12752009
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole
CID 132933457
2,5-dimethyl-1-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpyrrole
CID 139886765
6-chloro-1-methyl-9-(4-methylphenyl)sulfonylcarbazole
CID 102042180
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041

Frequently Asked Questions

What is the IUPAC name of 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?
The IUPAC name of 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene (CID 164674624) is 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene.
What is the SMILES notation for 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?
The canonical SMILES for 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene is Cc1ccc(S(=O)(=O)n2c3ccsc3c3c2c2sccc2n3S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?
The InChIKey is LAVTWUWCBKFWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S4/c1-15-3-7-17(8-4-15)33(27,28)25-19-11-13-31-23(19)22-21(25)24-20(12-14-32-24)26(22)34(29,30)18-9-5-16(2)6-10-18/h3-14H,1-2H3.
What are the key properties of 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene?
7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene has a molecular weight of 526.69 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene is sourced from PubChem (CID 164674624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).