3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid

C10H10F2N2O6S — CID 106168352

IUPAC3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F
InChIInChI=1S/C10H10F2N2O6S/c11-5-1-4(10(17)18)2-7(8(5)12)21(19,20)14-3-6(15)9(13)16/h1-2,6,14-15H,3H2,(H2,13,16)(H,17,18)
InChIKeyZFWXVUORRZEKIQ-UHFFFAOYSA-N
MW324.26 g/mol
LogP-1.21
Rot. Bonds6

About 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid

3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid (PubChem CID 106168352) has the molecular formula C10H10F2N2O6S and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid.

Molecular Properties

Compound Name3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid
PubChem CID106168352
Molecular FormulaC10H10F2N2O6S
Molecular Weight324.26 g/mol
Exact Mass324.02
IUPAC Name3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F
InChIInChI=1S/C10H10F2N2O6S/c11-5-1-4(10(17)18)2-7(8(5)12)21(19,20)14-3-6(15)9(13)16/h1-2,6,14-15H,3H2,(H2,13,16)(H,17,18)
InChIKeyZFWXVUORRZEKIQ-UHFFFAOYSA-N
XLogP-1.21
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 106168371
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
CID 106168366
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 106168362
3-[(4-amino-4-oxobutyl)sulfamoyl]-4,5-difluorobenzoic acid
CID 105112995
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid
CID 106168195
3,4-difluoro-5-(4-hydroxybutylsulfamoyl)benzoic acid
CID 106840426
3,4-difluoro-5-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]benzoic acid
CID 105115292
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385
3,4-difluoro-5-(3-methylbutylsulfamoyl)benzoic acid
CID 104654322
3,4-difluoro-5-(4-methylpentylsulfamoyl)benzoic acid
CID 104654442
3,4-difluoro-5-(methylsulfamoyl)benzoic acid
CID 105111222
3-(2-bromoprop-2-enylsulfamoyl)-4,5-difluorobenzoic acid
CID 105115653

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid?
The IUPAC name of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid (CID 106168352) is 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid.
What is the SMILES notation for 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid?
The canonical SMILES for 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid is NC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)cc(F)c1F.
What is the InChIKey of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid?
The InChIKey is ZFWXVUORRZEKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O6S/c11-5-1-4(10(17)18)2-7(8(5)12)21(19,20)14-3-6(15)9(13)16/h1-2,6,14-15H,3H2,(H2,13,16)(H,17,18).
What are the key properties of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid?
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid has a molecular weight of 324.26 g/mol, XLogP of -1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid is sourced from PubChem (CID 106168352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).