N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide

C15H15FN2O5S — CID 162419923

IUPACN-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide
SMILESC[C@@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F
InChIInChI=1S/C15H15FN2O5S/c1-15(10-19,13-4-2-3-5-14(13)16)17-24(22,23)12-8-6-11(7-9-12)18(20)21/h2-9,17,19H,10H2,1H3/t15-/m0/s1
InChIKeyHZLHEDMGIQYRAW-HNNXBMFYSA-N
MW354.36 g/mol
LogP1.92
Rot. Bonds6

About N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide

N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide (PubChem CID 162419923) has the molecular formula C15H15FN2O5S and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide
PubChem CID162419923
Molecular FormulaC15H15FN2O5S
Molecular Weight354.36 g/mol
Exact Mass354.07
IUPAC NameN-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide
SMILESC[C@@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F
InChIInChI=1S/C15H15FN2O5S/c1-15(10-19,13-4-2-3-5-14(13)16)17-24(22,23)12-8-6-11(7-9-12)18(20)21/h2-9,17,19H,10H2,1H3/t15-/m0/s1
InChIKeyHZLHEDMGIQYRAW-HNNXBMFYSA-N
XLogP1.92
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-Nitrophenyl)sulfonyl 2-(4-fluorophenyl)ethanimidate
CID 134815526
N-[2-(hydroxymethyl)phenyl]-4-nitrobenzenesulfonamide
CID 808000
N-(Benzyloxy)-4-nitrobenzenesulfonamide
CID 60681451
(R)-N-[(3S)-3-(2-fluoro-5-nitrophenyl)-1-hydroxypentan-3-yl]-2-methylpropane-2-sulfinamide
CID 67466219
(R)-2-methyl-propane-2-sulfinic acid [(S)-1-(2-fluoro-5-nitro-phenyl)-3-hydroxy-1-methyl-propyl]-amide
CID 67466787
N-[(R)-1-(2,3-Difluoro-phenyl)-2,2-difluoro-1-hydroxymethyl-ethyl]-2-nitro-benzenesulfonamide
CID 68109943
N-[(R)-1-(5-Bromo-2-fluoro-phenyl)-1-fluoromethyl-2-hydroxy-ethyl]-2-nitro-benzenesulfonamide
CID 68109949
N-[3-(2-fluoro-5-nitrophenyl)-1-hydroxypentan-3-yl]-2-methylpropane-2-sulfinamide
CID 77297171
N-[2-(2,3-difluorophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]-2-nitrobenzenesulfonamide
CID 77411386
N-[2-(5-bromo-2-fluorophenyl)-1-fluoro-3-hydroxypropan-2-yl]-2-nitrobenzenesulfonamide
CID 77411387
Acetic acid (R)-2-(2,3-difluoro-phenyl)-3,3-difluoro-2-(2-nitro-benzenesulfonylamino)-propyl ester
CID 86699705
(S)-N-[(3S)-3-(2-fluoro-5-nitrophenyl)-1-hydroxypentan-3-yl]-2-methylpropane-2-sulfinamide
CID 90160797

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide (CID 162419923) is N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide is C[C@@](CO)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F.
What is the InChIKey of N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide?
The InChIKey is HZLHEDMGIQYRAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15FN2O5S/c1-15(10-19,13-4-2-3-5-14(13)16)17-24(22,23)12-8-6-11(7-9-12)18(20)21/h2-9,17,19H,10H2,1H3/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide?
N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide has a molecular weight of 354.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-fluorophenyl)-1-hydroxypropan-2-yl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 162419923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).