9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione

C21H12N2O4S — CID 155200936

IUPAC9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione
SMILESO=C1c2ccncc2C(=O)c2c1[nH]c1ccc(S(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C21H12N2O4S/c24-20-16-11-22-9-8-14(16)21(25)19-18(20)15-10-13(6-7-17(15)23-19)28(26,27)12-4-2-1-3-5-12/h1-11,23H
InChIKeyYPQUPPACOQXJHZ-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.17
Rot. Bonds2

About 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione

9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione (PubChem CID 155200936) has the molecular formula C21H12N2O4S and a molecular weight of 388.40 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione.

Molecular Properties

Compound Name9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione
PubChem CID155200936
Molecular FormulaC21H12N2O4S
Molecular Weight388.40 g/mol
Exact Mass388.05
IUPAC Name9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione
SMILESO=C1c2ccncc2C(=O)c2c1[nH]c1ccc(S(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C21H12N2O4S/c24-20-16-11-22-9-8-14(16)21(25)19-18(20)15-10-13(6-7-17(15)23-19)28(26,27)12-4-2-1-3-5-12/h1-11,23H
InChIKeyYPQUPPACOQXJHZ-UHFFFAOYSA-N
XLogP3.17
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-phenylmethoxy-6H-pyrido[4,3-b]carbazole-5,11-dione
CID 155200949
8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione
CID 155200944
ethyl 6-(5,11-dioxo-6H-pyrido[4,3-b]carbazol-9-yl)pyridine-2-carboxylate
CID 155200894
methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate
CID 170638986
2,3-difluoro-5H-benzo[b]carbazole-6,11-dione
CID 149338155
5-(benzenesulfonyl)-1H-indazol-3-amine
CID 66736165
5H-indeno[1,2-b]indol-10-one
CID 2785776
3-(benzenesulfonyl)pyridine
CID 5147032
5,7-dioxa-11-azapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(12),2,4(8),9,14,16,18-heptaene-13,20-dione
CID 10541575
4-[4-(benzenesulfonyl)phenyl]pyridine
CID 119070513
5,12-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,14,16,18,20-nonaene-9,11-dione
CID 23448044
2-[5-(benzenesulfonyl)-2-methyl-1H-indol-3-yl]ethanamine;hydrochloride
CID 18522758

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione?
The IUPAC name of 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione (CID 155200936) is 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione.
What is the SMILES notation for 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione?
The canonical SMILES for 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione is O=C1c2ccncc2C(=O)c2c1[nH]c1ccc(S(=O)(=O)c3ccccc3)cc21.
What is the InChIKey of 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione?
The InChIKey is YPQUPPACOQXJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2O4S/c24-20-16-11-22-9-8-14(16)21(25)19-18(20)15-10-13(6-7-17(15)23-19)28(26,27)12-4-2-1-3-5-12/h1-11,23H.
What are the key properties of 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione?
9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione has a molecular weight of 388.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-6H-pyrido[4,3-b]carbazole-5,11-dione is sourced from PubChem (CID 155200936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).