4-fluoro-3-nitrobenzenesulfonyl chloride

C6H3ClFNO4S — CID 2782799

IUPAC4-fluoro-3-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKeyRRONENSZKCGROA-UHFFFAOYSA-N
MW239.61 g/mol
LogP1.66
Rot. Bonds2

About 4-fluoro-3-nitrobenzenesulfonyl chloride

4-fluoro-3-nitrobenzenesulfonyl chloride (PubChem CID 2782799) has the molecular formula C6H3ClFNO4S and a molecular weight of 239.61 g/mol. Its IUPAC name is 4-fluoro-3-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-nitrobenzenesulfonyl chloride
PubChem CID2782799
Molecular FormulaC6H3ClFNO4S
Molecular Weight239.61 g/mol
Exact Mass238.95
IUPAC Name4-fluoro-3-nitrobenzenesulfonyl chloride
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKeyRRONENSZKCGROA-UHFFFAOYSA-N
XLogP1.66
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 51.66
H-Bond Donors ≤ 50
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 4-fluoro-3-nitrobenzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-nitrobenzenesulfonyl chloride (CID 2782799) is 4-fluoro-3-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-nitrobenzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-nitrobenzenesulfonyl chloride is O=[N+]([O-])c1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 4-fluoro-3-nitrobenzenesulfonyl chloride?
The InChIKey is RRONENSZKCGROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-5(8)6(3-4)9(10)11/h1-3H.
What are the key properties of 4-fluoro-3-nitrobenzenesulfonyl chloride?
4-fluoro-3-nitrobenzenesulfonyl chloride has a molecular weight of 239.61 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 2782799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).