ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate

C24H22N2O4S — CID 1050451

IUPACethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C24H22N2O4S/c1-3-30-24(27)23-17(2)26(19-10-6-4-7-11-19)22-15-14-18(16-21(22)23)25-31(28,29)20-12-8-5-9-13-20/h4-16,25H,3H2,1-2H3
InChIKeyQSNKACXTHOVNPL-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.92
Rot. Bonds6

About ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate

ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate (PubChem CID 1050451) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate
PubChem CID1050451
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Nameethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C24H22N2O4S/c1-3-30-24(27)23-17(2)26(19-10-6-4-7-11-19)22-15-14-18(16-21(22)23)25-31(28,29)20-12-8-5-9-13-20/h4-16,25H,3H2,1-2H3
InChIKeyQSNKACXTHOVNPL-UHFFFAOYSA-N
XLogP4.92
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate?
The IUPAC name of ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate (CID 1050451) is ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate?
The canonical SMILES for ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(NS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate?
The InChIKey is QSNKACXTHOVNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-3-30-24(27)23-17(2)26(19-10-6-4-7-11-19)22-15-14-18(16-21(22)23)25-31(28,29)20-12-8-5-9-13-20/h4-16,25H,3H2,1-2H3.
What are the key properties of ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate?
ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate has a molecular weight of 434.52 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzenesulfonamido)-2-methyl-1-phenylindole-3-carboxylate is sourced from PubChem (CID 1050451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).