[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate

C17H18N2O6S — CID 7790208

IUPAC[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C17H18N2O6S/c1-19(2)26(23,24)15-8-4-6-13(10-15)18-16(21)11-25-17(22)12-5-3-7-14(20)9-12/h3-10,20H,11H2,1-2H3,(H,18,21)
InChIKeyHKVVLUBUMHVFAL-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.44
Rot. Bonds6

About [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate (PubChem CID 7790208) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
PubChem CID7790208
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C17H18N2O6S/c1-19(2)26(23,24)15-8-4-6-13(10-15)18-16(21)11-25-17(22)12-5-3-7-14(20)9-12/h3-10,20H,11H2,1-2H3,(H,18,21)
InChIKeyHKVVLUBUMHVFAL-UHFFFAOYSA-N
XLogP1.44
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7666980
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017786
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 166207634
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 3502658
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,3-dihydro-1-benzofuran-5-carboxylate
CID 38243392
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2337896
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7790183
[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7890290
[2-(3-bromoanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628239
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 3-fluorobenzoate
CID 18777850

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate (CID 7790208) is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate is CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(O)c2)c1.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate?
The InChIKey is HKVVLUBUMHVFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-19(2)26(23,24)15-8-4-6-13(10-15)18-16(21)11-25-17(22)12-5-3-7-14(20)9-12/h3-10,20H,11H2,1-2H3,(H,18,21).
What are the key properties of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate?
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate has a molecular weight of 378.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7790208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).