N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide

C12H16N2O4S — CID 58147277

IUPACN-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide
SMILESCCCS(=O)(=O)N1Cc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C12H16N2O4S/c1-2-5-19(17,18)14-7-10-4-3-9(12(15)13-16)6-11(10)8-14/h3-4,6,16H,2,5,7-8H2,1H3,(H,13,15)
InChIKeyAFPUVZDSRUNLJD-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.86
Rot. Bonds4

About N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide

N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide (PubChem CID 58147277) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide
PubChem CID58147277
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide
SMILESCCCS(=O)(=O)N1Cc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C12H16N2O4S/c1-2-5-19(17,18)14-7-10-4-3-9(12(15)13-16)6-11(10)8-14/h3-4,6,16H,2,5,7-8H2,1H3,(H,13,15)
InChIKeyAFPUVZDSRUNLJD-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Phthalimidoethanesulfonamide
CID 96092
(E)-N-hydroxy-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)prop-2-enamide
CID 24958071
(E)-3-(2-butylsulfonyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide
CID 24958809
(E)-3-(2-benzylsulfonyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide
CID 24958810
(E)-3-(2-cyclopropylsulfonyl-1,3-dihydroisoindol-5-yl)-N-hydroxyprop-2-enamide
CID 24958814
2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide
CID 58147224
N-hydroxy-2-phenyl-4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzamide
CID 162660277
4-[2-fluoro-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684317
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(1-oxo-2,3-dihydroisoindol-5-yl)phenyl]butanamide
CID 90684319
4-[3-fluoro-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684323
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]butanamide
CID 90684328
Taltrimide
CID 71248

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide (CID 58147277) is N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide is CCCS(=O)(=O)N1Cc2ccc(C(=O)NO)cc2C1.
What is the InChIKey of N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is AFPUVZDSRUNLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-5-19(17,18)14-7-10-4-3-9(12(15)13-16)6-11(10)8-14/h3-4,6,16H,2,5,7-8H2,1H3,(H,13,15).
What are the key properties of N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide?
N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-propylsulfonyl-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 58147277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).