2,3-difluoro-5-nitrobenzenesulfonamide

C6H4F2N2O4S — CID 63841468

IUPAC2,3-difluoro-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])cc(F)c1F
InChIInChI=1S/C6H4F2N2O4S/c7-4-1-3(10(11)12)2-5(6(4)8)15(9,13)14/h1-2H,(H2,9,13,14)
InChIKeyQWLZIPSLUCFSAP-UHFFFAOYSA-N
MW238.17 g/mol
LogP0.52
Rot. Bonds2

About 2,3-difluoro-5-nitrobenzenesulfonamide

2,3-difluoro-5-nitrobenzenesulfonamide (PubChem CID 63841468) has the molecular formula C6H4F2N2O4S and a molecular weight of 238.17 g/mol. Its IUPAC name is 2,3-difluoro-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-5-nitrobenzenesulfonamide
PubChem CID63841468
Molecular FormulaC6H4F2N2O4S
Molecular Weight238.17 g/mol
Exact Mass237.99
IUPAC Name2,3-difluoro-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])cc(F)c1F
InChIInChI=1S/C6H4F2N2O4S/c7-4-1-3(10(11)12)2-5(6(4)8)15(9,13)14/h1-2H,(H2,9,13,14)
InChIKeyQWLZIPSLUCFSAP-UHFFFAOYSA-N
XLogP0.52
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 50.52
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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Related Compounds

2-(3,3-dimethylbutoxy)-3-fluoro-5-nitrobenzenesulfonamide
CID 61481383
N-cyclopropyl-2-fluoro-5-nitro-3-sulfamoylbenzamide
CID 65374989
2-methyl-3,5-dinitrobenzenesulfonamide
CID 4554776
2-chloro-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 172969014
(2,3-difluoro-5-nitrophenyl)phosphane
CID 142842521
2,3-difluoro-5-methylbenzenesulfonamide
CID 119018924
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
CID 61036668
3-fluoro-2-(3-methylbut-3-enoxy)-5-nitrobenzenesulfonamide
CID 114473027
3-fluoro-2-(2-methylidenebutoxy)-5-nitrobenzenesulfonamide
CID 82915285
2-(2,6-difluoro-4-nitroanilino)ethanesulfonamide
CID 103828460
3-chloro-4,5-difluoroaniline;1-chloro-2,3-difluoro-5-nitrobenzene
CID 159546994
3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride
CID 82915288

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-nitrobenzenesulfonamide?
The IUPAC name of 2,3-difluoro-5-nitrobenzenesulfonamide (CID 63841468) is 2,3-difluoro-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-5-nitrobenzenesulfonamide?
The canonical SMILES for 2,3-difluoro-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-nitrobenzenesulfonamide?
The InChIKey is QWLZIPSLUCFSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O4S/c7-4-1-3(10(11)12)2-5(6(4)8)15(9,13)14/h1-2H,(H2,9,13,14).
What are the key properties of 2,3-difluoro-5-nitrobenzenesulfonamide?
2,3-difluoro-5-nitrobenzenesulfonamide has a molecular weight of 238.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-nitrobenzenesulfonamide is sourced from PubChem (CID 63841468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).