N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide

C12H8ClFN2O4S — CID 60631764

IUPACN-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C12H8ClFN2O4S/c13-11-7-9(16(17)18)3-6-12(11)15-21(19,20)10-4-1-8(14)2-5-10/h1-7,15H
InChIKeyKSJNOADKJQVYOD-UHFFFAOYSA-N
MW330.72 g/mol
LogP3.19
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide

N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide (PubChem CID 60631764) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
PubChem CID60631764
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC NameN-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C12H8ClFN2O4S/c13-11-7-9(16(17)18)3-6-12(11)15-21(19,20)10-4-1-8(14)2-5-10/h1-7,15H
InChIKeyKSJNOADKJQVYOD-UHFFFAOYSA-N
XLogP3.19
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 53.19
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

4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081
2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
CID 3515544
N-(2-chloro-4-fluorophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 17405978
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane;4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 87991454
N-(3-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 82865494
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
N,2-dichloro-4-nitroaniline
CID 57242965

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide (CID 60631764) is N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is KSJNOADKJQVYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-11-7-9(16(17)18)3-6-12(11)15-21(19,20)10-4-1-8(14)2-5-10/h1-7,15H.
What are the key properties of N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide?
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 330.72 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 60631764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).