5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide

C12H10ClFN2O2S — CID 43255417

IUPAC5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h1-7,16H,15H2
InChIKeyUWHJGXGNYAUBGU-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.86
Rot. Bonds3

About 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide

5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 43255417) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
PubChem CID43255417
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
SMILESNc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h1-7,16H,15H2
InChIKeyUWHJGXGNYAUBGU-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
5-amino-N-(2-bromo-5-chlorophenyl)-2-fluorobenzenesulfonamide
CID 81262650
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
5-amino-N-(2,5-dibromophenyl)-2-fluorobenzenesulfonamide
CID 61466695
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
3-amino-2-bromo-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 62955301
5-amino-N-(3,5-dichlorophenyl)-2,3-difluorobenzenesulfonamide
CID 65022984
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide (CID 43255417) is 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide is Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is UWHJGXGNYAUBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-8-1-4-10(5-2-8)16-19(17,18)12-7-9(15)3-6-11(12)14/h1-7,16H,15H2.
What are the key properties of 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide?
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43255417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).