12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione

C27H17NO5S — CID 10322339

IUPAC12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione
SMILESCOc1cc2c(c3c1c1ccccc1n3S(=O)(=O)c1ccccc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C27H17NO5S/c1-33-22-15-20-24(27(30)18-12-6-5-11-17(18)26(20)29)25-23(22)19-13-7-8-14-21(19)28(25)34(31,32)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyBZEAFJAHXODLSK-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.82
Rot. Bonds3

About 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione

12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione (PubChem CID 10322339) has the molecular formula C27H17NO5S and a molecular weight of 467.50 g/mol. Its IUPAC name is 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione.

Molecular Properties

Compound Name12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione
PubChem CID10322339
Molecular FormulaC27H17NO5S
Molecular Weight467.50 g/mol
Exact Mass467.08
IUPAC Name12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione
SMILESCOc1cc2c(c3c1c1ccccc1n3S(=O)(=O)c1ccccc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C27H17NO5S/c1-33-22-15-20-24(27(30)18-12-6-5-11-17(18)26(20)29)25-23(22)19-13-7-8-14-21(19)28(25)34(31,32)16-9-3-2-4-10-16/h2-15H,1H3
InChIKeyBZEAFJAHXODLSK-UHFFFAOYSA-N
XLogP4.82
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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[9-(benzenesulfonyl)carbazol-4-yl] acetate
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9-(benzenesulfonyl)-10-ethylsulfanylfuro[3,4-b]carbazole-1,3-dione
CID 11797239
tert-butyl 4-(benzenesulfonyl)-1,3-dimethylpyrrolo[3,4-b]indole-2-carboxylate
CID 11080394
CID 88904816
CID 88904816
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine
CID 70676091
1-(benzenesulfonyl)-3-(methoxymethyl)indole-2-sulfonyl chloride
CID 88924851

Frequently Asked Questions

What is the IUPAC name of 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione?
The IUPAC name of 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione (CID 10322339) is 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione.
What is the SMILES notation for 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione?
The canonical SMILES for 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione is COc1cc2c(c3c1c1ccccc1n3S(=O)(=O)c1ccccc1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione?
The InChIKey is BZEAFJAHXODLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO5S/c1-33-22-15-20-24(27(30)18-12-6-5-11-17(18)26(20)29)25-23(22)19-13-7-8-14-21(19)28(25)34(31,32)16-9-3-2-4-10-16/h2-15H,1H3.
What are the key properties of 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione?
12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione has a molecular weight of 467.50 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(benzenesulfonyl)-7-methoxynaphtho[3,2-a]carbazole-5,13-dione is sourced from PubChem (CID 10322339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).