5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid

C12H13NO5S — CID 129205429

IUPAC5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid
SMILESO=C(O)N1Cc2cc(S(=O)(=O)C3CC3)ccc2C1O
InChIInChI=1S/C12H13NO5S/c14-11-10-4-3-9(19(17,18)8-1-2-8)5-7(10)6-13(11)12(15)16/h3-5,8,11,14H,1-2,6H2,(H,15,16)
InChIKeyFPOSRSLPOKENLJ-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.11
Rot. Bonds2

About 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid

5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid (PubChem CID 129205429) has the molecular formula C12H13NO5S and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid
PubChem CID129205429
Molecular FormulaC12H13NO5S
Molecular Weight283.30 g/mol
Exact Mass283.05
IUPAC Name5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid
SMILESO=C(O)N1Cc2cc(S(=O)(=O)C3CC3)ccc2C1O
InChIInChI=1S/C12H13NO5S/c14-11-10-4-3-9(19(17,18)8-1-2-8)5-7(10)6-13(11)12(15)16/h3-5,8,11,14H,1-2,6H2,(H,15,16)
InChIKeyFPOSRSLPOKENLJ-UHFFFAOYSA-N
XLogP1.11
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid
CID 129205304
2-cyclopropyl-5-cyclopropylsulfonylbenzoic acid
CID 176888626
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine
CID 55115124
tert-butyl 1-hydroxy-5-(2-methoxyethylsulfonyl)-1,3-dihydroisoindole-2-carboxylate
CID 129205358
tert-butyl 5-cyclopropylsulfonyl-1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]methyl]-1,3-dihydroisoindole-2-carboxylate
CID 165163054
3-piperidin-4-ylsulfonylphenol
CID 84702713
tert-butyl hydrogen carbonate;5-cyclopropylsulfonyl-2,3-dihydro-1H-isoindole
CID 174860400
2-(6-azaspiro[2.5]octan-6-yl)-4-cyclopropylsulfonylbenzoic acid
CID 177321001
CID 89024956
CID 89024956
2-chloro-4-cyclobutylsulfonylbenzoic acid
CID 146193870
2-bromo-5-cyclohexylsulfonylbenzoic acid
CID 43323171
5-cycloheptylsulfonyl-2-fluorobenzoic acid
CID 82928547

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid?
The IUPAC name of 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid (CID 129205429) is 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid.
What is the SMILES notation for 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid?
The canonical SMILES for 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid is O=C(O)N1Cc2cc(S(=O)(=O)C3CC3)ccc2C1O.
What is the InChIKey of 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid?
The InChIKey is FPOSRSLPOKENLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S/c14-11-10-4-3-9(19(17,18)8-1-2-8)5-7(10)6-13(11)12(15)16/h3-5,8,11,14H,1-2,6H2,(H,15,16).
What are the key properties of 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid?
5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid has a molecular weight of 283.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylsulfonyl-1-hydroxy-1,3-dihydroisoindole-2-carboxylic acid is sourced from PubChem (CID 129205429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).