2-chloro-4-fluoro-5-nitrobenzenesulfonamide

C6H4ClFN2O4S — CID 139612597

IUPAC2-chloro-4-fluoro-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C6H4ClFN2O4S/c7-3-1-4(8)5(10(11)12)2-6(3)15(9,13)14/h1-2H,(H2,9,13,14)
InChIKeyGNJCSBYPNPOFFS-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.03
Rot. Bonds2

About 2-chloro-4-fluoro-5-nitrobenzenesulfonamide

2-chloro-4-fluoro-5-nitrobenzenesulfonamide (PubChem CID 139612597) has the molecular formula C6H4ClFN2O4S and a molecular weight of 254.63 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-nitrobenzenesulfonamide
PubChem CID139612597
Molecular FormulaC6H4ClFN2O4S
Molecular Weight254.63 g/mol
Exact Mass253.96
IUPAC Name2-chloro-4-fluoro-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C6H4ClFN2O4S/c7-3-1-4(8)5(10(11)12)2-6(3)15(9,13)14/h1-2H,(H2,9,13,14)
InChIKeyGNJCSBYPNPOFFS-UHFFFAOYSA-N
XLogP1.03
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.03
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 2-chloro-4-fluoro-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-5-nitrobenzenesulfonamide (CID 139612597) is 2-chloro-4-fluoro-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-5-nitrobenzenesulfonamide?
The InChIKey is GNJCSBYPNPOFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O4S/c7-3-1-4(8)5(10(11)12)2-6(3)15(9,13)14/h1-2H,(H2,9,13,14).
What are the key properties of 2-chloro-4-fluoro-5-nitrobenzenesulfonamide?
2-chloro-4-fluoro-5-nitrobenzenesulfonamide has a molecular weight of 254.63 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-nitrobenzenesulfonamide is sourced from PubChem (CID 139612597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).