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

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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).