N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide

C12H7ClF2N2O4S — CID 4793013

IUPACN-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)ccc1F
InChIInChI=1S/C12H7ClF2N2O4S/c13-7-1-3-9(14)11(5-7)16-22(20,21)8-2-4-10(15)12(6-8)17(18)19/h1-6,16H
InChIKeyVKICYODLOQYTKR-UHFFFAOYSA-N
MW348.71 g/mol
LogP3.33
Rot. Bonds4

About N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide

N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide (PubChem CID 4793013) has the molecular formula C12H7ClF2N2O4S and a molecular weight of 348.71 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
PubChem CID4793013
Molecular FormulaC12H7ClF2N2O4S
Molecular Weight348.71 g/mol
Exact Mass347.98
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)ccc1F
InChIInChI=1S/C12H7ClF2N2O4S/c13-7-1-3-9(14)11(5-7)16-22(20,21)8-2-4-10(15)12(6-8)17(18)19/h1-6,16H
InChIKeyVKICYODLOQYTKR-UHFFFAOYSA-N
XLogP3.33
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 53.33
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

5-chloro-N-(5-chloro-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 112729858
N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 26969862
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 100820756
N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82813222
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
4-fluoro-3-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90101695
N-(2-bromoethyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 43133675
N-(1-chloropropan-2-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 106442002

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide (CID 4793013) is N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide?
The InChIKey is VKICYODLOQYTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O4S/c13-7-1-3-9(14)11(5-7)16-22(20,21)8-2-4-10(15)12(6-8)17(18)19/h1-6,16H.
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide?
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide has a molecular weight of 348.71 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide is sourced from PubChem (CID 4793013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).