5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid

C10H12N2O7S — CID 106168283

IUPAC5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H12N2O7S/c11-9(15)8(14)4-12-20(18,19)5-1-2-7(13)6(3-5)10(16)17/h1-3,8,12-14H,4H2,(H2,11,15)(H,16,17)
InChIKeyMZNNCPZOYJTODN-UHFFFAOYSA-N
MW304.28 g/mol
LogP-1.79
Rot. Bonds6

About 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid

5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid (PubChem CID 106168283) has the molecular formula C10H12N2O7S and a molecular weight of 304.28 g/mol. Its IUPAC name is 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
PubChem CID106168283
Molecular FormulaC10H12N2O7S
Molecular Weight304.28 g/mol
Exact Mass304.04
IUPAC Name5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H12N2O7S/c11-9(15)8(14)4-12-20(18,19)5-1-2-7(13)6(3-5)10(16)17/h1-3,8,12-14H,4H2,(H2,11,15)(H,16,17)
InChIKeyMZNNCPZOYJTODN-UHFFFAOYSA-N
XLogP-1.79
TPSA167.02 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 5-1.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 106168272
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168637
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid
CID 113464976
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
guanidine;2-hydroxy-5-sulfobenzoic acid;propan-2-ol
CID 157150038
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid (CID 106168283) is 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid is NC(=O)C(O)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid?
The InChIKey is MZNNCPZOYJTODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O7S/c11-9(15)8(14)4-12-20(18,19)5-1-2-7(13)6(3-5)10(16)17/h1-3,8,12-14H,4H2,(H2,11,15)(H,16,17).
What are the key properties of 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid?
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid has a molecular weight of 304.28 g/mol, XLogP of -1.79, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 106168283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).