N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide

C12H8ClFN2O4S — CID 115584203

IUPACN-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClFN2O4S/c13-8-4-6-9(7-5-8)15-21(19,20)11-3-1-2-10(14)12(11)16(17)18/h1-7,15H
InChIKeyNLPNOEKVCUODCA-UHFFFAOYSA-N
MW330.72 g/mol
LogP3.19
Rot. Bonds4

About N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide

N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide (PubChem CID 115584203) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
PubChem CID115584203
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC NameN-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H8ClFN2O4S/c13-8-4-6-9(7-5-8)15-21(19,20)11-3-1-2-10(14)12(11)16(17)18/h1-7,15H
InChIKeyNLPNOEKVCUODCA-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

3-fluoro-N-(3-iodophenyl)-2-nitrobenzenesulfonamide
CID 115584207
3-fluoro-2-nitro-N-thiophen-3-ylbenzenesulfonamide
CID 112694993
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
3-fluoro-N-(1-methylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 47345276
3-amino-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 115993300
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
3-fluoro-N-[(2R)-2-hydroxypropyl]-2-nitrobenzenesulfonamide
CID 113345507
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115589504
3-fluoro-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 112674559
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide (CID 115584203) is N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide is O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide?
The InChIKey is NLPNOEKVCUODCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-8-4-6-9(7-5-8)15-21(19,20)11-3-1-2-10(14)12(11)16(17)18/h1-7,15H.
What are the key properties of N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide?
N-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide 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-(4-chlorophenyl)-3-fluoro-2-nitrobenzenesulfonamide is sourced from PubChem (CID 115584203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).