[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate

C24H19FN2O5S — CID 16530198

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1F
InChIInChI=1S/C24H19FN2O5S/c1-15-12-16(10-11-20(15)25)33(30,31)27-22-9-5-3-7-18(22)24(29)32-14-23(28)19-13-26-21-8-4-2-6-17(19)21/h2-13,26-27H,14H2,1H3
InChIKeyMAYNCXJVYQXLNE-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.46
Rot. Bonds7

About [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate

[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate (PubChem CID 16530198) has the molecular formula C24H19FN2O5S and a molecular weight of 466.49 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
PubChem CID16530198
Molecular FormulaC24H19FN2O5S
Molecular Weight466.49 g/mol
Exact Mass466.10
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1F
InChIInChI=1S/C24H19FN2O5S/c1-15-12-16(10-11-20(15)25)33(30,31)27-22-9-5-3-7-18(22)24(29)32-14-23(28)19-13-26-21-8-4-2-6-17(19)21/h2-13,26-27H,14H2,1H3
InChIKeyMAYNCXJVYQXLNE-UHFFFAOYSA-N
XLogP4.46
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 16530203
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2453233
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 666984
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432581
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[2-(1H-indol-3-yl)-2-oxoethyl] 2-iodobenzoate
CID 2689629
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 16521702
2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659782
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 4030553
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2689631
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2689726

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate (CID 16530198) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate is Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1F.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate?
The InChIKey is MAYNCXJVYQXLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5S/c1-15-12-16(10-11-20(15)25)33(30,31)27-22-9-5-3-7-18(22)24(29)32-14-23(28)19-13-26-21-8-4-2-6-17(19)21/h2-13,26-27H,14H2,1H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate has a molecular weight of 466.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 16530198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).