3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid

C10H11FN2O6S — CID 106168366

IUPAC3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)ccc1F
InChIInChI=1S/C10H11FN2O6S/c11-6-2-1-5(10(16)17)3-8(6)20(18,19)13-4-7(14)9(12)15/h1-3,7,13-14H,4H2,(H2,12,15)(H,16,17)
InChIKeyUWZVCWXXDXFEDH-UHFFFAOYSA-N
MW306.27 g/mol
LogP-1.35
Rot. Bonds6

About 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid

3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid (PubChem CID 106168366) has the molecular formula C10H11FN2O6S and a molecular weight of 306.27 g/mol. Its IUPAC name is 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
PubChem CID106168366
Molecular FormulaC10H11FN2O6S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Name3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)ccc1F
InChIInChI=1S/C10H11FN2O6S/c11-6-2-1-5(10(16)17)3-8(6)20(18,19)13-4-7(14)9(12)15/h1-3,7,13-14H,4H2,(H2,12,15)(H,16,17)
InChIKeyUWZVCWXXDXFEDH-UHFFFAOYSA-N
XLogP-1.35
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid
CID 106168195
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid
CID 106168352
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 106168371
3-(2,2-difluoroethylsulfamoyl)-4-fluorobenzoic acid
CID 113303553
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 106168362
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 107216404
3-(2-cyanopropylsulfamoyl)-4-fluorobenzoic acid
CID 62668422
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373
3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168147
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
3-(2,3-dihydroxypropylsulfonyl)-4-fluorobenzoic acid
CID 82850938

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid?
The IUPAC name of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid (CID 106168366) is 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid.
What is the SMILES notation for 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid?
The canonical SMILES for 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid is NC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)ccc1F.
What is the InChIKey of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid?
The InChIKey is UWZVCWXXDXFEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O6S/c11-6-2-1-5(10(16)17)3-8(6)20(18,19)13-4-7(14)9(12)15/h1-3,7,13-14H,4H2,(H2,12,15)(H,16,17).
What are the key properties of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid?
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid has a molecular weight of 306.27 g/mol, XLogP of -1.35, 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-fluorobenzoic acid is sourced from PubChem (CID 106168366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).