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

C22H22N2O3S — CID 15944491

IUPAC1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4c(C)cc(C)cc4C)ccc1c23
InChIInChI=1S/C22H22N2O3S/c1-5-24-18-9-10-19(16-7-6-8-17(20(16)18)22(24)25)28(26,27)23-21-14(3)11-13(2)12-15(21)4/h6-12,23H,5H2,1-4H3
InChIKeyJJAAXYHAOXAARJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.55
Rot. Bonds4

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

1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide (PubChem CID 15944491) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
PubChem CID15944491
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4c(C)cc(C)cc4C)ccc1c23
InChIInChI=1S/C22H22N2O3S/c1-5-24-18-9-10-19(16-7-6-8-17(20(16)18)22(24)25)28(26,27)23-21-14(3)11-13(2)12-15(21)4/h6-12,23H,5H2,1-4H3
InChIKeyJJAAXYHAOXAARJ-UHFFFAOYSA-N
XLogP4.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide (CID 15944491) is 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4c(C)cc(C)cc4C)ccc1c23.
What is the InChIKey of 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide?
The InChIKey is JJAAXYHAOXAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-5-24-18-9-10-19(16-7-6-8-17(20(16)18)22(24)25)28(26,27)23-21-14(3)11-13(2)12-15(21)4/h6-12,23H,5H2,1-4H3.
What are the key properties of 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide?
1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-(2,4,6-trimethylphenyl)benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 15944491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).