[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate

C17H17FN2O5S — CID 25434009

IUPAC[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H17FN2O5S/c1-11-2-5-13(8-15(11)26(19,23)24)17(22)25-10-16(21)20-9-12-3-6-14(18)7-4-12/h2-8H,9-10H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyGYQSHXGBJLFLMH-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.25
Rot. Bonds6

About [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate (PubChem CID 25434009) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
PubChem CID25434009
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H17FN2O5S/c1-11-2-5-13(8-15(11)26(19,23)24)17(22)25-10-16(21)20-9-12-3-6-14(18)7-4-12/h2-8H,9-10H2,1H3,(H,20,21)(H2,19,23,24)
InChIKeyGYQSHXGBJLFLMH-UHFFFAOYSA-N
XLogP1.25
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
CID 55427640
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529902
[2-(benzylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386501
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599452
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate
CID 2629130
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2516189
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2579517
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 3,4-dimethylbenzoate
CID 50929593
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563668
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924977
[2-[(3-chloro-4-fluorophenyl)methylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 46860564

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate (CID 25434009) is [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate is Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1S(N)(=O)=O.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate?
The InChIKey is GYQSHXGBJLFLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c1-11-2-5-13(8-15(11)26(19,23)24)17(22)25-10-16(21)20-9-12-3-6-14(18)7-4-12/h2-8H,9-10H2,1H3,(H,20,21)(H2,19,23,24).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate?
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate has a molecular weight of 380.40 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate is sourced from PubChem (CID 25434009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).