2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide

C23H18N2O4S — CID 1362286

IUPAC2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)c3cccc1c23
InChIInChI=1S/C23H18N2O4S/c26-23-16-6-3-5-15-21(11-9-18(24-23)22(15)16)30(27,28)25-13-8-10-20-17(12-13)14-4-1-2-7-19(14)29-20/h3,5-6,8-12,25H,1-2,4,7H2,(H,24,26)
InChIKeyHTSUWUDWBPZBQC-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.83
Rot. Bonds3

About 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide

2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 1362286) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide
PubChem CID1362286
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC Name2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)c3cccc1c23
InChIInChI=1S/C23H18N2O4S/c26-23-16-6-3-5-15-21(11-9-18(24-23)22(15)16)30(27,28)25-13-8-10-20-17(12-13)14-4-1-2-7-19(14)29-20/h3,5-6,8-12,25H,1-2,4,7H2,(H,24,26)
InChIKeyHTSUWUDWBPZBQC-UHFFFAOYSA-N
XLogP4.83
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-keto-N-(7-keto-9,10-dihydro-8H-naphtho[1,2-b]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide
CID 2325417
N-(4-{[(4-methoxyphenyl)amino]sulfonyl}naphthyl)benzamide
CID 3384970
N-(4-ethylphenyl)sulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
CID 992465
Ethyl 2-methyl-5-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}-1-benzofuran-3-carboxylate
CID 992505
N-(4-methoxyphenyl)-4-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzamide
CID 1249036
1-methylsulfonyl-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 1251624
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
N-(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1720683
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
4-{Acetyl[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}phenyl acetate
CID 4856194

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide (CID 1362286) is 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccc4oc5c(c4c3)CCCC5)c3cccc1c23.
What is the InChIKey of 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is HTSUWUDWBPZBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c26-23-16-6-3-5-15-21(11-9-18(24-23)22(15)16)30(27,28)25-13-8-10-20-17(12-13)14-4-1-2-7-19(14)29-20/h3,5-6,8-12,25H,1-2,4,7H2,(H,24,26).
What are the key properties of 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide?
2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 418.47 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1362286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).