1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide

C22H22N2O6S — CID 118197350

IUPAC1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(OC)c(OC)c(OC)c4)ccc1c23
InChIInChI=1S/C22H22N2O6S/c1-5-24-16-9-10-19(14-7-6-8-15(20(14)16)22(24)25)31(26,27)23-13-11-17(28-2)21(30-4)18(12-13)29-3/h6-12,23H,5H2,1-4H3
InChIKeyMQACGNPEKLMDPR-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.65
Rot. Bonds7

About 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide

1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide (PubChem CID 118197350) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
PubChem CID118197350
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(OC)c(OC)c(OC)c4)ccc1c23
InChIInChI=1S/C22H22N2O6S/c1-5-24-16-9-10-19(14-7-6-8-15(20(14)16)22(24)25)31(26,27)23-13-11-17(28-2)21(30-4)18(12-13)29-3/h6-12,23H,5H2,1-4H3
InChIKeyMQACGNPEKLMDPR-UHFFFAOYSA-N
XLogP3.65
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide (CID 118197350) is 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cc(OC)c(OC)c(OC)c4)ccc1c23.
What is the InChIKey of 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide?
The InChIKey is MQACGNPEKLMDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-5-24-16-9-10-19(14-7-6-8-15(20(14)16)22(24)25)31(26,27)23-13-11-17(28-2)21(30-4)18(12-13)29-3/h6-12,23H,5H2,1-4H3.
What are the key properties of 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide?
1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide has a molecular weight of 442.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-(3,4,5-trimethoxyphenyl)benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 118197350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).