5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate

C17H12FN2O6S- — CID 7008709

IUPAC5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1c(C(=O)[O-])[nH]c2ccc(F)cc12
InChIInChI=1S/C17H13FN2O6S/c1-26-17(23)10-4-2-3-5-13(10)27(24,25)20-14-11-8-9(18)6-7-12(11)19-15(14)16(21)22/h2-8,19-20H,1H3,(H,21,22)/p-1
InChIKeyJFTVIPDKALEFLA-UHFFFAOYSA-M
MW391.36 g/mol
LogP1.26
Rot. Bonds5

About 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate

5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate (PubChem CID 7008709) has the molecular formula C17H12FN2O6S- and a molecular weight of 391.36 g/mol. Its IUPAC name is 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Name5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
PubChem CID7008709
Molecular FormulaC17H12FN2O6S-
Molecular Weight391.36 g/mol
Exact Mass391.04
IUPAC Name5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1c(C(=O)[O-])[nH]c2ccc(F)cc12
InChIInChI=1S/C17H13FN2O6S/c1-26-17(23)10-4-2-3-5-13(10)27(24,25)20-14-11-8-9(18)6-7-12(11)19-15(14)16(21)22/h2-8,19-20H,1H3,(H,21,22)/p-1
InChIKeyJFTVIPDKALEFLA-UHFFFAOYSA-M
XLogP1.26
TPSA128.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 7006411
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
CID 3831628
methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate
CID 44623908
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
CID 146173958
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 666984
5-fluoro-3-iodo-1H-indole-2-carboxylate
CID 22097771
methyl 3-[(2-chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate
CID 934562
methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 3303174

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The IUPAC name of 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate (CID 7008709) is 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate.
What is the SMILES notation for 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The canonical SMILES for 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate is COC(=O)c1ccccc1S(=O)(=O)Nc1c(C(=O)[O-])[nH]c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
The InChIKey is JFTVIPDKALEFLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13FN2O6S/c1-26-17(23)10-4-2-3-5-13(10)27(24,25)20-14-11-8-9(18)6-7-12(11)19-15(14)16(21)22/h2-8,19-20H,1H3,(H,21,22)/p-1.
What are the key properties of 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate?
5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate has a molecular weight of 391.36 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate is sourced from PubChem (CID 7008709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).