1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide

C23H19F3N4O3S — CID 90670242

IUPAC1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCc4nc5cc(C(F)(F)F)ccc5n4C)ccc1c23
InChIInChI=1S/C23H19F3N4O3S/c1-3-30-18-9-10-19(14-5-4-6-15(21(14)18)22(30)31)34(32,33)27-12-20-28-16-11-13(23(24,25)26)7-8-17(16)29(20)2/h4-11,27H,3,12H2,1-2H3
InChIKeyLVBJVCATWRVLGO-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.20
Rot. Bonds5

About 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide

1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 90670242) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID90670242
Molecular FormulaC23H19F3N4O3S
Molecular Weight488.49 g/mol
Exact Mass488.11
IUPAC Name1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCc4nc5cc(C(F)(F)F)ccc5n4C)ccc1c23
InChIInChI=1S/C23H19F3N4O3S/c1-3-30-18-9-10-19(14-5-4-6-15(21(14)18)22(30)31)34(32,33)27-12-20-28-16-11-13(23(24,25)26)7-8-17(16)29(20)2/h4-11,27H,3,12H2,1-2H3
InChIKeyLVBJVCATWRVLGO-UHFFFAOYSA-N
XLogP4.20
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide (CID 90670242) is 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4nc5cc(C(F)(F)F)ccc5n4C)ccc1c23.
What is the InChIKey of 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is LVBJVCATWRVLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c1-3-30-18-9-10-19(14-5-4-6-15(21(14)18)22(30)31)34(32,33)27-12-20-28-16-11-13(23(24,25)26)7-8-17(16)29(20)2/h4-11,27H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 488.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 90670242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).