2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid

C10H13NO5S — CID 107215504

IUPAC2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
SMILESC[C@@H](CO)NS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H13NO5S/c1-7(6-12)11-17(15,16)9-5-3-2-4-8(9)10(13)14/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyFKTSLHLMVWHZFQ-ZETCQYMHSA-N
MW259.28 g/mol
LogP0.04
Rot. Bonds5

About 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid

2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid (PubChem CID 107215504) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
PubChem CID107215504
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
SMILESC[C@@H](CO)NS(=O)(=O)c1ccccc1C(=O)O
InChIInChI=1S/C10H13NO5S/c1-7(6-12)11-17(15,16)9-5-3-2-4-8(9)10(13)14/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyFKTSLHLMVWHZFQ-ZETCQYMHSA-N
XLogP0.04
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 107215536
N-[(2S)-1-hydroxypropan-2-yl]naphthalene-1-sulfonamide
CID 103802489
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2-hydroxy-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43499094
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
2-(ethylsulfamoyl)benzoic acid
CID 18725198
2-(fluorosulfamoyl)benzoic acid
CID 87516154
5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215547
2-[[1-(4-hydroxyanilino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 22649977
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215449
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid (CID 107215504) is 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid is C[C@@H](CO)NS(=O)(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The InChIKey is FKTSLHLMVWHZFQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-7(6-12)11-17(15,16)9-5-3-2-4-8(9)10(13)14/h2-5,7,11-12H,6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid has a molecular weight of 259.28 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 107215504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).