2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid

C20H16N2O5S — CID 127030768

IUPAC2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4C(=O)O)ccc1c23
InChIInChI=1S/C20H16N2O5S/c1-2-22-16-11-10-15(12-7-5-8-14(18(12)16)19(22)23)21-28(26,27)17-9-4-3-6-13(17)20(24)25/h3-11,21H,2H2,1H3,(H,24,25)
InChIKeyMOVDKHSHOYQHHN-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.32
Rot. Bonds5

About 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid

2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid (PubChem CID 127030768) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid
PubChem CID127030768
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4C(=O)O)ccc1c23
InChIInChI=1S/C20H16N2O5S/c1-2-22-16-11-10-15(12-7-5-8-14(18(12)16)19(22)23)21-28(26,27)17-9-4-3-6-13(17)20(24)25/h3-11,21H,2H2,1H3,(H,24,25)
InChIKeyMOVDKHSHOYQHHN-UHFFFAOYSA-N
XLogP3.32
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)benzenesulfonamide
CID 6611008
Anthranilic Acid Sulfonamide, 14d
CID 11533183
Anthranilic Acid Sulfonamide, 23b
CID 11576709
Anthranilic Acid Sulfonamide, 23d
CID 11576736
Anthranilic Acid Sulfonamide, 23a
CID 11641405
Anthranilic Acid Sulfonamide, 10ae
CID 11670027
Anthranilic Acid Sulfonamide, 23e
CID 11670580
6-[[1-(2,4-Dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]naphthalene-2-carboxylic acid
CID 71541378
Anthranilic Acid Sulfonamide, 24i
CID 11503087
Anthranilic Acid Sulfonamide, 23g
CID 11569838
Anthranilic Acid Sulfonamide, 24e
CID 11576103
1-({[(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)sulfonyl]amino}methyl)cyclopentanecarboxylic Acid
CID 105539836

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid (CID 127030768) is 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid is CCN1C(=O)c2cccc3c(NS(=O)(=O)c4ccccc4C(=O)O)ccc1c23.
What is the InChIKey of 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid?
The InChIKey is MOVDKHSHOYQHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-2-22-16-11-10-15(12-7-5-8-14(18(12)16)19(22)23)21-28(26,27)17-9-4-3-6-13(17)20(24)25/h3-11,21H,2H2,1H3,(H,24,25).
What are the key properties of 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid?
2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid has a molecular weight of 396.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 127030768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).