methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate

C17H14F2N2O5S — CID 24663091

IUPACmethyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(F)cc1F
InChIInChI=1S/C17H14F2N2O5S/c1-21-15-4-3-10(5-9(15)6-16(21)22)27(24,25)20-14-7-11(17(23)26-2)12(18)8-13(14)19/h3-5,7-8,20H,6H2,1-2H3
InChIKeyARHSAQUKBPOPSA-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.07
Rot. Bonds4

About methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate

methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate (PubChem CID 24663091) has the molecular formula C17H14F2N2O5S and a molecular weight of 396.37 g/mol. Its IUPAC name is methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate
PubChem CID24663091
Molecular FormulaC17H14F2N2O5S
Molecular Weight396.37 g/mol
Exact Mass396.06
IUPAC Namemethyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(F)cc1F
InChIInChI=1S/C17H14F2N2O5S/c1-21-15-4-3-10(5-9(15)6-16(21)22)27(24,25)20-14-7-11(17(23)26-2)12(18)8-13(14)19/h3-5,7-8,20H,6H2,1-2H3
InChIKeyARHSAQUKBPOPSA-UHFFFAOYSA-N
XLogP2.07
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate with MolForge

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Related Compounds

methyl 2,4-difluoro-5-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoate
CID 31808177
N-(2-methoxyethyl)-2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]acetamide
CID 112991190
N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113098520
1-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-3H-indole-5-sulfonamide
CID 110727217
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112807801
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
[4-[(2,5-difluoro-4-methoxycarbonylphenyl)sulfamoyl]phenoxy]boronic acid
CID 142768643
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]oxyacetamide
CID 115992115
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 110818534
methyl 5-[(2,4-difluorophenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808073

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate (CID 24663091) is methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate is COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(F)cc1F.
What is the InChIKey of methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate?
The InChIKey is ARHSAQUKBPOPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O5S/c1-21-15-4-3-10(5-9(15)6-16(21)22)27(24,25)20-14-7-11(17(23)26-2)12(18)8-13(14)19/h3-5,7-8,20H,6H2,1-2H3.
What are the key properties of methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate?
methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate has a molecular weight of 396.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-difluoro-5-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]benzoate is sourced from PubChem (CID 24663091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).