N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide

C18H20N2O4S — CID 8520374

IUPACN,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(C)=O
InChIInChI=1S/C18H20N2O4S/c1-4-19(5-2)25(23,24)16-10-9-15-17-13(16)7-6-8-14(17)18(22)20(15)11-12(3)21/h6-10H,4-5,11H2,1-3H3
InChIKeySQUJYZUACPRXHX-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.42
Rot. Bonds6

About N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide

N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide (PubChem CID 8520374) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide
PubChem CID8520374
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(C)=O
InChIInChI=1S/C18H20N2O4S/c1-4-19(5-2)25(23,24)16-10-9-15-17-13(16)7-6-8-14(17)18(22)20(15)11-12(3)21/h6-10H,4-5,11H2,1-3H3
InChIKeySQUJYZUACPRXHX-UHFFFAOYSA-N
XLogP2.42
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide?
The IUPAC name of N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide (CID 8520374) is N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC(C)=O.
What is the InChIKey of N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide?
The InChIKey is SQUJYZUACPRXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-4-19(5-2)25(23,24)16-10-9-15-17-13(16)7-6-8-14(17)18(22)20(15)11-12(3)21/h6-10H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide?
N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-1-(2-oxopropyl)benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 8520374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).