7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione

C23H17NO4S — CID 132577368

IUPAC7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C2=C(CC3)C(=O)C=CC2=O)cc1
InChIInChI=1S/C23H17NO4S/c1-14-6-8-15(9-7-14)29(27,28)24-18-5-3-2-4-16(18)22-19(24)11-10-17-20(25)12-13-21(26)23(17)22/h2-9,12-13H,10-11H2,1H3
InChIKeyCPHZBJLNWZIODL-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.59
Rot. Bonds2

About 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione

7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione (PubChem CID 132577368) has the molecular formula C23H17NO4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione.

Molecular Properties

Compound Name7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione
PubChem CID132577368
Molecular FormulaC23H17NO4S
Molecular Weight403.46 g/mol
Exact Mass403.09
IUPAC Name7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione
SMILESCc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C2=C(CC3)C(=O)C=CC2=O)cc1
InChIInChI=1S/C23H17NO4S/c1-14-6-8-15(9-7-14)29(27,28)24-18-5-3-2-4-16(18)22-19(24)11-10-17-20(25)12-13-21(26)23(17)22/h2-9,12-13H,10-11H2,1H3
InChIKeyCPHZBJLNWZIODL-UHFFFAOYSA-N
XLogP3.59
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

2,9-bis-(4-methylphenyl)sulfonyl-1,3-dihydropyrido[3,4-b]indol-4-one
CID 138982150
2-[9-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydro-1H-carbazol-3-yl]acetonitrile
CID 139233286
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
(1S,12R)-9-(4-methylphenyl)sulfonyl-9-azatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraen-15-one
CID 162413828
4-ethenyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazole
CID 24874540
3-hydroxy-1-(4-methylphenyl)sulfonylindole-2-carboxamide
CID 133054783
[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methylphosphane
CID 175023681
(4aR,11cR)-3,4a-dimethyl-7-(4-methylphenyl)sulfonyl-6,11c-dihydro-1H-chromeno[3,4-b]indol-2-one
CID 164682880
2-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-cyclopenta[b]indole
CID 132600980
3-(4-bromophenyl)-2-ethenyl-1-(4-methylphenyl)sulfonylindole
CID 139187424
2-(diethoxymethyl)-3-methyl-1-(4-methylphenyl)sulfonylindole
CID 10620251

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione?
The IUPAC name of 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione (CID 132577368) is 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione.
What is the SMILES notation for 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione?
The canonical SMILES for 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione is Cc1ccc(S(=O)(=O)n2c3c(c4ccccc42)C2=C(CC3)C(=O)C=CC2=O)cc1.
What is the InChIKey of 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione?
The InChIKey is CPHZBJLNWZIODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4S/c1-14-6-8-15(9-7-14)29(27,28)24-18-5-3-2-4-16(18)22-19(24)11-10-17-20(25)12-13-21(26)23(17)22/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione?
7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione has a molecular weight of 403.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)sulfonyl-5,6-dihydrobenzo[c]carbazole-1,4-dione is sourced from PubChem (CID 132577368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).