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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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).