N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide

C12H8ClF2NO2S — CID 852212

IUPACN-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C12H8ClF2NO2S/c13-11-7-9(4-5-12(11)15)16-19(17,18)10-3-1-2-8(14)6-10/h1-7,16H
InChIKeyZHUPQHUETHKMBM-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.42
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide

N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide (PubChem CID 852212) has the molecular formula C12H8ClF2NO2S and a molecular weight of 303.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide
PubChem CID852212
Molecular FormulaC12H8ClF2NO2S
Molecular Weight303.72 g/mol
Exact Mass302.99
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C12H8ClF2NO2S/c13-11-7-9(4-5-12(11)15)16-19(17,18)10-3-1-2-8(14)6-10/h1-7,16H
InChIKeyZHUPQHUETHKMBM-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide (CID 852212) is N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccc(F)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is ZHUPQHUETHKMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO2S/c13-11-7-9(4-5-12(11)15)16-19(17,18)10-3-1-2-8(14)6-10/h1-7,16H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide has a molecular weight of 303.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 852212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).