methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate

C18H16FN3O5S — CID 166221418

IUPACmethyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
SMILESCNC(=O)c1cc2cc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)ccc2[nH]1
InChIInChI=1S/C18H16FN3O5S/c1-20-17(23)15-8-10-7-12(4-6-14(10)21-15)22-28(25,26)16-9-11(19)3-5-13(16)18(24)27-2/h3-9,21-22H,1-2H3,(H,20,23)
InChIKeyCKYNRDTWXRPJNL-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.25
Rot. Bonds5

About methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate

methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate (PubChem CID 166221418) has the molecular formula C18H16FN3O5S and a molecular weight of 405.41 g/mol. Its IUPAC name is methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
PubChem CID166221418
Molecular FormulaC18H16FN3O5S
Molecular Weight405.41 g/mol
Exact Mass405.08
IUPAC Namemethyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
SMILESCNC(=O)c1cc2cc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)ccc2[nH]1
InChIInChI=1S/C18H16FN3O5S/c1-20-17(23)15-8-10-7-12(4-6-14(10)21-15)22-28(25,26)16-9-11(19)3-5-13(16)18(24)27-2/h3-9,21-22H,1-2H3,(H,20,23)
InChIKeyCKYNRDTWXRPJNL-UHFFFAOYSA-N
XLogP2.25
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-fluoro-4-methyl-5-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate
CID 166227197
5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221467
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221438
N-methyl-5-[(2-methyl-5-nitrophenyl)sulfonylamino]-1H-indole-2-carboxamide
CID 166221435
5-[(2-cyano-3-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221463
5-[[2-[butyl(methyl)carbamoyl]phenyl]sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 167957313
N-methyl-5-methylsulfonyl-1H-indole-2-carboxamide
CID 175836307
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
5-[(6-fluoropyrimidin-4-yl)amino]-N-methyl-1H-indole-2-carboxamide
CID 154798871
methyl 4-fluoro-2-(2-methylsulfanylpropylsulfamoyl)benzoate
CID 103837977
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 42808947
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate (CID 166221418) is methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate is CNC(=O)c1cc2cc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)ccc2[nH]1.
What is the InChIKey of methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate?
The InChIKey is CKYNRDTWXRPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O5S/c1-20-17(23)15-8-10-7-12(4-6-14(10)21-15)22-28(25,26)16-9-11(19)3-5-13(16)18(24)27-2/h3-9,21-22H,1-2H3,(H,20,23).
What are the key properties of methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate?
methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate has a molecular weight of 405.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[[2-(methylcarbamoyl)-1H-indol-5-yl]sulfamoyl]benzoate is sourced from PubChem (CID 166221418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).