4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

C8H9FN2O5S — CID 43502076

IUPAC4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NCCO
InChIInChI=1S/C8H9FN2O5S/c9-6-1-2-8(7(5-6)11(13)14)17(15,16)10-3-4-12/h1-2,5,10,12H,3-4H2
InChIKeyVRFGXUYCOMLNES-UHFFFAOYSA-N
MW264.23 g/mol
LogP0.00
Rot. Bonds5

About 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide (PubChem CID 43502076) has the molecular formula C8H9FN2O5S and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
PubChem CID43502076
Molecular FormulaC8H9FN2O5S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NCCO
InChIInChI=1S/C8H9FN2O5S/c9-6-1-2-8(7(5-6)11(13)14)17(15,16)10-3-4-12/h1-2,5,10,12H,3-4H2
InChIKeyVRFGXUYCOMLNES-UHFFFAOYSA-N
XLogP0.00
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 50.00
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

N-(3-chloropropyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 43246366
4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)-2-nitrobenzenesulfonamide
CID 106143674
4-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-2-nitrobenzenesulfonamide
CID 114466891
4-fluoro-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 43502280
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
4-fluoro-N-(2-hydroxy-4-methylpentyl)-2-nitrobenzenesulfonamide
CID 107155387
5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 61052286
(2S)-2-[(4-fluoro-2-nitrophenyl)sulfonylamino]propanoic acid
CID 29285627
4-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 106184824
N-[(2R)-1-aminopropan-2-yl]-4-fluoro-2-nitrobenzenesulfonamide
CID 98542426
4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-2-nitrobenzenesulfonamide
CID 106364589
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide (CID 43502076) is 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)NCCO.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The InChIKey is VRFGXUYCOMLNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O5S/c9-6-1-2-8(7(5-6)11(13)14)17(15,16)10-3-4-12/h1-2,5,10,12H,3-4H2.
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide has a molecular weight of 264.23 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 43502076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).