2-chloro-5-fluoro-N-phenylbenzenesulfonamide

C12H9ClFNO2S — CID 115610692

IUPAC2-chloro-5-fluoro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H9ClFNO2S/c13-11-7-6-9(14)8-12(11)18(16,17)15-10-4-2-1-3-5-10/h1-8,15H
InChIKeyMFKHIQKZSCVPIN-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.28
Rot. Bonds3

About 2-chloro-5-fluoro-N-phenylbenzenesulfonamide

2-chloro-5-fluoro-N-phenylbenzenesulfonamide (PubChem CID 115610692) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-phenylbenzenesulfonamide
PubChem CID115610692
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC Name2-chloro-5-fluoro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H9ClFNO2S/c13-11-7-6-9(14)8-12(11)18(16,17)15-10-4-2-1-3-5-10/h1-8,15H
InChIKeyMFKHIQKZSCVPIN-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-N-(3-formylphenyl)benzenesulfonamide
CID 106912977
2-chloro-N-[3-(chloromethyl)phenyl]-5-fluorobenzenesulfonamide
CID 105400633
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
N-(3-amino-5-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 107334204
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-[2-(bromomethyl)phenyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400700
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-phenylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-fluoro-N-phenylbenzenesulfonamide (CID 115610692) is 2-chloro-5-fluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-fluoro-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-phenylbenzenesulfonamide?
The InChIKey is MFKHIQKZSCVPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c13-11-7-6-9(14)8-12(11)18(16,17)15-10-4-2-1-3-5-10/h1-8,15H.
What are the key properties of 2-chloro-5-fluoro-N-phenylbenzenesulfonamide?
2-chloro-5-fluoro-N-phenylbenzenesulfonamide has a molecular weight of 285.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 115610692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).