1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide

C19H23N3O4S — CID 90654869

IUPAC1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCCN4CCOCC4)ccc1c23
InChIInChI=1S/C19H23N3O4S/c1-2-22-16-6-7-17(14-4-3-5-15(18(14)16)19(22)23)27(24,25)20-8-9-21-10-12-26-13-11-21/h3-7,20H,2,8-13H2,1H3
InChIKeyDWAFHBUBFQTYQY-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.43
Rot. Bonds6

About 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide

1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 90654869) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID90654869
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCCN4CCOCC4)ccc1c23
InChIInChI=1S/C19H23N3O4S/c1-2-22-16-6-7-17(14-4-3-5-15(18(14)16)19(22)23)27(24,25)20-8-9-21-10-12-26-13-11-21/h3-7,20H,2,8-13H2,1H3
InChIKeyDWAFHBUBFQTYQY-UHFFFAOYSA-N
XLogP1.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide (CID 90654869) is 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)NCCN4CCOCC4)ccc1c23.
What is the InChIKey of 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is DWAFHBUBFQTYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-22-16-6-7-17(14-4-3-5-15(18(14)16)19(22)23)27(24,25)20-8-9-21-10-12-26-13-11-21/h3-7,20H,2,8-13H2,1H3.
What are the key properties of 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-morpholin-4-ylethyl)-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 90654869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).