5-fluoro-2-nitrobenzenesulfonamide

C6H5FN2O4S — CID 60996093

IUPAC5-fluoro-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H5FN2O4S/c7-4-1-2-5(9(10)11)6(3-4)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKeyLRGRKTFEHNKVPC-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.38
Rot. Bonds2

About 5-fluoro-2-nitrobenzenesulfonamide

5-fluoro-2-nitrobenzenesulfonamide (PubChem CID 60996093) has the molecular formula C6H5FN2O4S and a molecular weight of 220.18 g/mol. Its IUPAC name is 5-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-nitrobenzenesulfonamide
PubChem CID60996093
Molecular FormulaC6H5FN2O4S
Molecular Weight220.18 g/mol
Exact Mass220.00
IUPAC Name5-fluoro-2-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H5FN2O4S/c7-4-1-2-5(9(10)11)6(3-4)14(8,12)13/h1-3H,(H2,8,12,13)
InChIKeyLRGRKTFEHNKVPC-UHFFFAOYSA-N
XLogP0.38
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of 5-fluoro-2-nitrobenzenesulfonamide (CID 60996093) is 5-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-fluoro-2-nitrobenzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is LRGRKTFEHNKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O4S/c7-4-1-2-5(9(10)11)6(3-4)14(8,12)13/h1-3H,(H2,8,12,13).
What are the key properties of 5-fluoro-2-nitrobenzenesulfonamide?
5-fluoro-2-nitrobenzenesulfonamide has a molecular weight of 220.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 60996093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).