2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

C21H20N2O4S — CID 155544158

IUPAC2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)N(C)c1ccc2c3c(cccc13)C(=O)N2C
InChIInChI=1S/C21H20N2O4S/c1-4-27-18-10-5-6-11-19(18)28(25,26)23(3)16-12-13-17-20-14(16)8-7-9-15(20)21(24)22(17)2/h5-13H,4H2,1-3H3
InChIKeySPKRBRINULYDOF-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.65
Rot. Bonds5

About 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide

2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (PubChem CID 155544158) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
PubChem CID155544158
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)N(C)c1ccc2c3c(cccc13)C(=O)N2C
InChIInChI=1S/C21H20N2O4S/c1-4-27-18-10-5-6-11-19(18)28(25,26)23(3)16-12-13-17-20-14(16)8-7-9-15(20)21(24)22(17)2/h5-13H,4H2,1-3H3
InChIKeySPKRBRINULYDOF-UHFFFAOYSA-N
XLogP3.65
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)-2-Methoxybenzenesulfonamide
CID 105539860
2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
CID 145829182
Methyl 2-[(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)sulfamoyl]benzoate
CID 105539841
5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
CID 127031094
2-methoxy-N-(6-oxo-5H-phenanthridin-2-yl)benzenesulfonamide
CID 155569554
Methyl 3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanoate
CID 155682739
N-[(3Z)-3-ethylidene-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
CID 162657414
2-methoxy-N-[(3Z)-2-oxo-3-propylidene-1H-indol-5-yl]benzenesulfonamide
CID 162662428
N-(4-methoxyphenyl)-4-{[(2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}benzamide
CID 1249036
2-oxo-N-(4-phenoxyphenyl)-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1353440
1-ethyl-N-(2-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523405
N-(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1720683

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide (CID 155544158) is 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is CCOc1ccccc1S(=O)(=O)N(C)c1ccc2c3c(cccc13)C(=O)N2C.
What is the InChIKey of 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
The InChIKey is SPKRBRINULYDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-4-27-18-10-5-6-11-19(18)28(25,26)23(3)16-12-13-17-20-14(16)8-7-9-15(20)21(24)22(17)2/h5-13H,4H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide?
2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide is sourced from PubChem (CID 155544158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).