2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid

C16H16N2O6S — CID 22649977

IUPAC2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
SMILESCC(NS(=O)(=O)c1ccccc1C(=O)O)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H16N2O6S/c1-10(15(20)17-11-6-8-12(19)9-7-11)18-25(23,24)14-5-3-2-4-13(14)16(21)22/h2-10,18-19H,1H3,(H,17,20)(H,21,22)
InChIKeyWYJXSCFSRMYEPF-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.40
Rot. Bonds6

About 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid

2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid (PubChem CID 22649977) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
PubChem CID22649977
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
SMILESCC(NS(=O)(=O)c1ccccc1C(=O)O)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H16N2O6S/c1-10(15(20)17-11-6-8-12(19)9-7-11)18-25(23,24)14-5-3-2-4-13(14)16(21)22/h2-10,18-19H,1H3,(H,17,20)(H,21,22)
InChIKeyWYJXSCFSRMYEPF-UHFFFAOYSA-N
XLogP1.40
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide
CID 95321208
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
2-(fluorosulfamoyl)benzoic acid
CID 87516154
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid (CID 22649977) is 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid is CC(NS(=O)(=O)c1ccccc1C(=O)O)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid?
The InChIKey is WYJXSCFSRMYEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-10(15(20)17-11-6-8-12(19)9-7-11)18-25(23,24)14-5-3-2-4-13(14)16(21)22/h2-10,18-19H,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid?
2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid has a molecular weight of 364.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 22649977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).