N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide

C12H8F2N2O5S — CID 29457183

IUPACN-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2F)ccc1O
InChIInChI=1S/C12H8F2N2O5S/c13-7-1-3-9(14)10(5-7)15-22(20,21)8-2-4-12(17)11(6-8)16(18)19/h1-6,15,17H
InChIKeyIWJSPXAUTDTYCV-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.38
Rot. Bonds4

About N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide

N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide (PubChem CID 29457183) has the molecular formula C12H8F2N2O5S and a molecular weight of 330.27 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide
PubChem CID29457183
Molecular FormulaC12H8F2N2O5S
Molecular Weight330.27 g/mol
Exact Mass330.01
IUPAC NameN-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2F)ccc1O
InChIInChI=1S/C12H8F2N2O5S/c13-7-1-3-9(14)10(5-7)15-22(20,21)8-2-4-12(17)11(6-8)16(18)19/h1-6,15,17H
InChIKeyIWJSPXAUTDTYCV-UHFFFAOYSA-N
XLogP2.38
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide (CID 29457183) is N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2F)ccc1O.
What is the InChIKey of N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The InChIKey is IWJSPXAUTDTYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O5S/c13-7-1-3-9(14)10(5-7)15-22(20,21)8-2-4-12(17)11(6-8)16(18)19/h1-6,15,17H.
What are the key properties of N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide?
N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide has a molecular weight of 330.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-hydroxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 29457183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).