ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate

C17H16N2O4S — CID 14611916

IUPACethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1
InChIInChI=1S/C17H16N2O4S/c1-2-23-17(20)16-15(11-6-4-3-5-7-11)13-10-12(24(18,21)22)8-9-14(13)19-16/h3-10,19H,2H2,1H3,(H2,18,21,22)
InChIKeyPTVGRYWQTVTECG-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.66
Rot. Bonds4

About ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate

ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate (PubChem CID 14611916) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate
PubChem CID14611916
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Nameethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1
InChIInChI=1S/C17H16N2O4S/c1-2-23-17(20)16-15(11-6-4-3-5-7-11)13-10-12(24(18,21)22)8-9-14(13)19-16/h3-10,19H,2H2,1H3,(H2,18,21,22)
InChIKeyPTVGRYWQTVTECG-UHFFFAOYSA-N
XLogP2.66
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate (CID 14611916) is ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1.
What is the InChIKey of ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate?
The InChIKey is PTVGRYWQTVTECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-2-23-17(20)16-15(11-6-4-3-5-7-11)13-10-12(24(18,21)22)8-9-14(13)19-16/h3-10,19H,2H2,1H3,(H2,18,21,22).
What are the key properties of ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate?
ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-5-sulfamoyl-1H-indole-2-carboxylate is sourced from PubChem (CID 14611916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).