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

C10H11ClN2O6S — CID 106168195

IUPAC3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C10H11ClN2O6S/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)
InChIKeyVRVYIWJINLVLBF-UHFFFAOYSA-N
MW322.73 g/mol
LogP-0.84
Rot. Bonds6

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

3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid (PubChem CID 106168195) has the molecular formula C10H11ClN2O6S and a molecular weight of 322.73 g/mol. Its IUPAC name is 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid.

Molecular Properties

Compound Name3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid
PubChem CID106168195
Molecular FormulaC10H11ClN2O6S
Molecular Weight322.73 g/mol
Exact Mass322.00
IUPAC Name3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C10H11ClN2O6S/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)
InChIKeyVRVYIWJINLVLBF-UHFFFAOYSA-N
XLogP-0.84
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.73
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
CID 106168366
4-chloro-3-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoic acid
CID 63296325
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 106168362
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4,5-difluorobenzoic acid
CID 106168352
3-(2-carboxyethylsulfamoyl)-4-chlorobenzoic acid
CID 2100657
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 106168371
4-chloro-3-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214151
4-chloro-3-(3-cyanopropylsulfamoyl)benzoic acid
CID 62665661
3-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 106164884
4-chloro-3-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoic acid
CID 107216345
4-chloro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]benzoic acid
CID 79254529
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid?
The IUPAC name of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid (CID 106168195) is 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid.
What is the SMILES notation for 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid?
The canonical SMILES for 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid is NC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid?
The InChIKey is VRVYIWJINLVLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O6S/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-chlorobenzoic acid?
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-chlorobenzoic acid has a molecular weight of 322.73 g/mol, XLogP of -0.84, 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-chlorobenzoic acid is sourced from PubChem (CID 106168195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).