1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide

C7H6F2N2O5S — CID 107745986

IUPAC1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(NS(=O)(=O)C(F)F)c1
InChIInChI=1S/C7H6F2N2O5S/c8-7(9)17(15,16)10-5-3-4(11(13)14)1-2-6(5)12/h1-3,7,10,12H
InChIKeyZYKXTENXHAWCAA-UHFFFAOYSA-N
MW268.20 g/mol
LogP1.26
Rot. Bonds4

About 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide

1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide (PubChem CID 107745986) has the molecular formula C7H6F2N2O5S and a molecular weight of 268.20 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
PubChem CID107745986
Molecular FormulaC7H6F2N2O5S
Molecular Weight268.20 g/mol
Exact Mass268.00
IUPAC Name1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(NS(=O)(=O)C(F)F)c1
InChIInChI=1S/C7H6F2N2O5S/c8-7(9)17(15,16)10-5-3-4(11(13)14)1-2-6(5)12/h1-3,7,10,12H
InChIKeyZYKXTENXHAWCAA-UHFFFAOYSA-N
XLogP1.26
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylsulfamoylamino)-4-nitrophenol
CID 107745997
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
CID 113247071
1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745976
5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
CID 107745988
N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103717307
2-(2-hydroxy-5-nitroanilino)naphthalene-1,4-dione
CID 177429502
2-(difluoromethoxy)-4-nitrophenol
CID 118799292
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-[(1S)-1-amino-3,3-difluoropropyl]-4-nitrophenol
CID 171312782
2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833
2-[(2-bromo-3-methylbutyl)amino]-4-nitrophenol
CID 69262864
2-[(2-hydroxyanilino)methyl]-4-nitrophenol
CID 83321921

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide (CID 107745986) is 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)C(F)F)c1.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide?
The InChIKey is ZYKXTENXHAWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O5S/c8-7(9)17(15,16)10-5-3-4(11(13)14)1-2-6(5)12/h1-3,7,10,12H.
What are the key properties of 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide?
1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide has a molecular weight of 268.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 107745986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).