[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

C18H19FN2O5S — CID 18076307

IUPAC[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCc1ccc(F)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H19FN2O5S/c1-12-7-8-14(19)10-16(12)20-17(22)11-26-18(23)13-5-4-6-15(9-13)27(24,25)21(2)3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyNDFAJNJDJRBDIM-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.18
Rot. Bonds6

About [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 18076307) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID18076307
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCc1ccc(F)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H19FN2O5S/c1-12-7-8-14(19)10-16(12)20-17(22)11-26-18(23)13-5-4-6-15(9-13)27(24,25)21(2)3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyNDFAJNJDJRBDIM-UHFFFAOYSA-N
XLogP2.18
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2508862
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 29155226
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528831
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2337896
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507285
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7483419
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017786
[2-(2-methylanilino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528821
[2-(2,4-dimethylanilino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753772
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
[2-(3-cyanoanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7666980

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (CID 18076307) is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is Cc1ccc(F)cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is NDFAJNJDJRBDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-12-7-8-14(19)10-16(12)20-17(22)11-26-18(23)13-5-4-6-15(9-13)27(24,25)21(2)3/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 394.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 18076307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).