N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide

C15H19FN2O5S — CID 16660280

IUPACN-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide
SMILESO=CN(O)[C@H](CS(=O)(=O)N1Cc2ccc(F)cc2C1)[C@H]1CCCO1
InChIInChI=1S/C15H19FN2O5S/c16-13-4-3-11-7-17(8-12(11)6-13)24(21,22)9-14(18(20)10-19)15-2-1-5-23-15/h3-4,6,10,14-15,20H,1-2,5,7-9H2/t14-,15-/m1/s1
InChIKeyRFNRGHOYNHMJKX-HUUCEWRRSA-N
MW358.39 g/mol
LogP0.87
Rot. Bonds6

About N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide

N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide (PubChem CID 16660280) has the molecular formula C15H19FN2O5S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide
PubChem CID16660280
Molecular FormulaC15H19FN2O5S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC NameN-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide
SMILESO=CN(O)[C@H](CS(=O)(=O)N1Cc2ccc(F)cc2C1)[C@H]1CCCO1
InChIInChI=1S/C15H19FN2O5S/c16-13-4-3-11-7-17(8-12(11)6-13)24(21,22)9-14(18(20)10-19)15-2-1-5-23-15/h3-4,6,10,14-15,20H,1-2,5,7-9H2/t14-,15-/m1/s1
InChIKeyRFNRGHOYNHMJKX-HUUCEWRRSA-N
XLogP0.87
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide?
The IUPAC name of N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide (CID 16660280) is N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide?
The canonical SMILES for N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide is O=CN(O)[C@H](CS(=O)(=O)N1Cc2ccc(F)cc2C1)[C@H]1CCCO1.
What is the InChIKey of N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide?
The InChIKey is RFNRGHOYNHMJKX-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H19FN2O5S/c16-13-4-3-11-7-17(8-12(11)6-13)24(21,22)9-14(18(20)10-19)15-2-1-5-23-15/h3-4,6,10,14-15,20H,1-2,5,7-9H2/t14-,15-/m1/s1.
What are the key properties of N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide?
N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide has a molecular weight of 358.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[(5-fluoro-1,3-dihydroisoindol-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]-N-hydroxyformamide is sourced from PubChem (CID 16660280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).