1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide

C19H21N3O4S — CID 118200169

IUPAC1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCC(=O)N4CCCC4)ccc1c23
InChIInChI=1S/C19H21N3O4S/c1-2-22-15-8-9-16(13-6-5-7-14(18(13)15)19(22)24)27(25,26)20-12-17(23)21-10-3-4-11-21/h5-9,20H,2-4,10-12H2,1H3
InChIKeyOFNLCTNTFQJNAT-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.72
Rot. Bonds5

About 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide

1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide (PubChem CID 118200169) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
PubChem CID118200169
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCC(=O)N4CCCC4)ccc1c23
InChIInChI=1S/C19H21N3O4S/c1-2-22-15-8-9-16(13-6-5-7-14(18(13)15)19(22)24)27(25,26)20-12-17(23)21-10-3-4-11-21/h5-9,20H,2-4,10-12H2,1H3
InChIKeyOFNLCTNTFQJNAT-UHFFFAOYSA-N
XLogP1.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-6-piperidin-1-ylsulfonylbenzo[cd]indol-2-one
CID 781532
1-ethyl-N-[(4-methylphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200153
N-[(4-tert-butylphenyl)methyl]-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 118200173
1-ethyl-N-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indole-6-sulfonamide
CID 90654880
(2R)-2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-3-phenylpropanoate
CID 6966030
(2S)-2-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 2241540
ethyl 1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylpiperidine-3-carboxylate
CID 3262513
N-(4-bromophenyl)-1-ethyl-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944466
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
CID 15944491
1-ethyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzo[cd]indol-2-one
CID 3388445
1-ethyl-N-(3-methylphenyl)-2-oxobenzo[cd]indole-6-sulfonamide
CID 15944531
1-ethyl-2-oxo-N-(3-phenylphenyl)benzo[cd]indole-6-sulfonamide
CID 90670353

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide (CID 118200169) is 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)NCC(=O)N4CCCC4)ccc1c23.
What is the InChIKey of 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide?
The InChIKey is OFNLCTNTFQJNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-2-22-15-8-9-16(13-6-5-7-14(18(13)15)19(22)24)27(25,26)20-12-17(23)21-10-3-4-11-21/h5-9,20H,2-4,10-12H2,1H3.
What are the key properties of 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide?
1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide has a molecular weight of 387.46 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 118200169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).