N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide

C14H13ClFNO2S — CID 132851184

IUPACN-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(F)CC(Cl)c1ccccc1
InChIInChI=1S/C14H13ClFNO2S/c15-14(12-7-3-1-4-8-12)11-17(16)20(18,19)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyWFXCSTXAKRAPEE-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.54
Rot. Bonds5

About N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide

N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide (PubChem CID 132851184) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide
PubChem CID132851184
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(F)CC(Cl)c1ccccc1
InChIInChI=1S/C14H13ClFNO2S/c15-14(12-7-3-1-4-8-12)11-17(16)20(18,19)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyWFXCSTXAKRAPEE-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide (CID 132851184) is N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide is O=S(=O)(c1ccccc1)N(F)CC(Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide?
The InChIKey is WFXCSTXAKRAPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-14(12-7-3-1-4-8-12)11-17(16)20(18,19)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide?
N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-N-fluorobenzenesulfonamide is sourced from PubChem (CID 132851184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).