propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate

C14H17NO4S — CID 83984815

IUPACpropan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate
SMILESCCS(=O)(=O)c1ccc2[nH]cc(C(=O)OC(C)C)c2c1
InChIInChI=1S/C14H17NO4S/c1-4-20(17,18)10-5-6-13-11(7-10)12(8-15-13)14(16)19-9(2)3/h5-9,15H,4H2,1-3H3
InChIKeyOKQXLOKURYLIQE-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.53
Rot. Bonds4

About propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate

propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate (PubChem CID 83984815) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate
PubChem CID83984815
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Namepropan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate
SMILESCCS(=O)(=O)c1ccc2[nH]cc(C(=O)OC(C)C)c2c1
InChIInChI=1S/C14H17NO4S/c1-4-20(17,18)10-5-6-13-11(7-10)12(8-15-13)14(16)19-9(2)3/h5-9,15H,4H2,1-3H3
InChIKeyOKQXLOKURYLIQE-UHFFFAOYSA-N
XLogP2.53
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-ethylsulfonyl-1H-indole-3-carboxylate
CID 83984813
propan-2-yl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984816
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
1-(5-ethylsulfonyl-1H-indol-3-yl)-3-methylbutan-2-amine
CID 83984848
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
propan-2-yl 7-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 76851313
ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 134098178
ethyl 2-[5-(methanesulfonamidomethyl)-1H-indol-3-yl]-2-oxoacetate
CID 12822523
pentan-3-yl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11716193
2-oxo-2-(5-propan-2-yloxy-1H-indol-3-yl)acetic acid
CID 80502669
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate?
The IUPAC name of propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate (CID 83984815) is propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate?
The canonical SMILES for propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate is CCS(=O)(=O)c1ccc2[nH]cc(C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate?
The InChIKey is OKQXLOKURYLIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-4-20(17,18)10-5-6-13-11(7-10)12(8-15-13)14(16)19-9(2)3/h5-9,15H,4H2,1-3H3.
What are the key properties of propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate?
propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-ethylsulfonyl-1H-indole-3-carboxylate is sourced from PubChem (CID 83984815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).