ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate

C19H17F3N2O4S — CID 59135580

IUPACethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(N(C)S(=O)(=O)c3ccccc3C(F)(F)F)c2[nH]1
InChIInChI=1S/C19H17F3N2O4S/c1-3-28-18(25)14-11-12-7-6-9-15(17(12)23-14)24(2)29(26,27)16-10-5-4-8-13(16)19(20,21)22/h4-11,23H,3H2,1-2H3
InChIKeyAKSQAKKNCDCHHJ-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.19
Rot. Bonds5

About ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate

ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 59135580) has the molecular formula C19H17F3N2O4S and a molecular weight of 426.42 g/mol. Its IUPAC name is ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate
PubChem CID59135580
Molecular FormulaC19H17F3N2O4S
Molecular Weight426.42 g/mol
Exact Mass426.09
IUPAC Nameethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(N(C)S(=O)(=O)c3ccccc3C(F)(F)F)c2[nH]1
InChIInChI=1S/C19H17F3N2O4S/c1-3-28-18(25)14-11-12-7-6-9-15(17(12)23-14)24(2)29(26,27)16-10-5-4-8-13(16)19(20,21)22/h4-11,23H,3H2,1-2H3
InChIKeyAKSQAKKNCDCHHJ-UHFFFAOYSA-N
XLogP4.19
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate (CID 59135580) is ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(N(C)S(=O)(=O)c3ccccc3C(F)(F)F)c2[nH]1.
What is the InChIKey of ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is AKSQAKKNCDCHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4S/c1-3-28-18(25)14-11-12-7-6-9-15(17(12)23-14)24(2)29(26,27)16-10-5-4-8-13(16)19(20,21)22/h4-11,23H,3H2,1-2H3.
What are the key properties of ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate?
ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 426.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 59135580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).