N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide

C12H8Cl2FNO2S — CID 711097

IUPACN-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C12H8Cl2FNO2S/c13-8-5-9(14)7-11(6-8)16-19(17,18)12-3-1-10(15)2-4-12/h1-7,16H
InChIKeyGKAYWFLCSDQSJI-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.93
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide

N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 711097) has the molecular formula C12H8Cl2FNO2S and a molecular weight of 320.17 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
PubChem CID711097
Molecular FormulaC12H8Cl2FNO2S
Molecular Weight320.17 g/mol
Exact Mass318.96
IUPAC NameN-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C12H8Cl2FNO2S/c13-8-5-9(14)7-11(6-8)16-19(17,18)12-3-1-10(15)2-4-12/h1-7,16H
InChIKeyGKAYWFLCSDQSJI-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-N-phenylbenzenesulfonamide
CID 67559
4-amino-N-(4-chlorophenyl)benzenesulfonamide
CID 788021
N-(2-Chlorophenyl)benzenesulfonamide
CID 252039
5-Amino-2-chloro-N-(3-chloro-phenyl)-benzenesulfonamide
CID 3724108
N-(4-fluorophenyl)benzenesulfonamide
CID 295229
4-amino-N-(3,4-dichlorophenyl)benzene-1-sulfonamide
CID 593571
N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 341408
N-(4-Chlorophenyl)benzenesulfonamide
CID 20865
4-Amino-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 221212
5-Amino-2-chloro-N-(4-chloro-phenyl)-benzenesulfonamide
CID 3434495
4-amino-N-(3-chlorophenyl)benzene-1-sulfonamide
CID 2357660
4-Chloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 985367

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide (CID 711097) is N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is GKAYWFLCSDQSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO2S/c13-8-5-9(14)7-11(6-8)16-19(17,18)12-3-1-10(15)2-4-12/h1-7,16H.
What are the key properties of N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide?
N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 320.17 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 711097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).