2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide

C27H18N2O5S — CID 2325417

IUPAC2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)c4ccccc43)c21
InChIInChI=1S/C27H18N2O5S/c30-21-9-4-10-22-25(21)18-13-20(14-5-1-2-6-15(14)26(18)34-22)29-35(32,33)23-12-11-19-24-16(23)7-3-8-17(24)27(31)28-19/h1-3,5-8,11-13,29H,4,9-10H2,(H,28,31)
InChIKeyWRQYCNYDGTUCPU-UHFFFAOYSA-N
MW482.52 g/mol
LogP5.62
Rot. Bonds3

About 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 2325417) has the molecular formula C27H18N2O5S and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide
PubChem CID2325417
Molecular FormulaC27H18N2O5S
Molecular Weight482.52 g/mol
Exact Mass482.09
IUPAC Name2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)c4ccccc43)c21
InChIInChI=1S/C27H18N2O5S/c30-21-9-4-10-22-25(21)18-13-20(14-5-1-2-6-15(14)26(18)34-22)29-35(32,33)23-12-11-19-24-16(23)7-3-8-17(24)27(31)28-19/h1-3,5-8,11-13,29H,4,9-10H2,(H,28,31)
InChIKeyWRQYCNYDGTUCPU-UHFFFAOYSA-N
XLogP5.62
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate
CID 992505
N-(9,9-dimethyl-7-oxo-8,10-dihydronaphtho[1,2-b]benzofuran-5-yl)-4-methoxybenzenesulfonamide
CID 1332299
2-oxo-N-(4-phenoxyphenyl)-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1353440
Isopropyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}naphtho[1,2-b]furan-3-carboxylate
CID 1367393
2-methyl-N-phenyl-5-(tosylamino)benzo[g]benzofuran-3-carboxamide
CID 2337760
2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester
CID 6615755
2-oxo-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1362286
4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b]benzofuran-5-yl)benzenesulfonamide
CID 2058973
N-(9,9-dimethyl-7-oxo-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-4-ethoxybenzenesulfonamide
CID 2059628
N-(7,7-dimethyl-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2,4,5-trimethylbenzenesulfonamide
CID 4064079
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-3-yl)-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 90654865
5-(2,4-Dimethyl-benzenesulfonylamino)-2-methyl-naphtho[1,2-b]furan-3-carboxylic
CID 1105995

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide (CID 2325417) is 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide is O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc5c6c(cccc46)C(=O)N5)c4ccccc43)c21.
What is the InChIKey of 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is WRQYCNYDGTUCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O5S/c30-21-9-4-10-22-25(21)18-13-20(14-5-1-2-6-15(14)26(18)34-22)29-35(32,33)23-12-11-19-24-16(23)7-3-8-17(24)27(31)28-19/h1-3,5-8,11-13,29H,4,9-10H2,(H,28,31).
What are the key properties of 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 482.52 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 2325417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).