2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide

C13H12ClFN2O2S — CID 106060439

IUPAC2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c14-10-2-1-3-12(6-10)17-20(18,19)13-7-11(15)5-4-9(13)8-16/h1-7,17H,8,16H2
InChIKeyJWGYWOJQWVOWSK-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.74
Rot. Bonds4

About 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide

2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide (PubChem CID 106060439) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
PubChem CID106060439
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H12ClFN2O2S/c14-10-2-1-3-12(6-10)17-20(18,19)13-7-11(15)5-4-9(13)8-16/h1-7,17H,8,16H2
InChIKeyJWGYWOJQWVOWSK-UHFFFAOYSA-N
XLogP2.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060604
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060630
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide
CID 106088872
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506
2-chloro-N-[3-(chloromethyl)phenyl]-5-fluorobenzenesulfonamide
CID 105400633
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 62315894
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide (CID 106060439) is 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide is NCc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide?
The InChIKey is JWGYWOJQWVOWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c14-10-2-1-3-12(6-10)17-20(18,19)13-7-11(15)5-4-9(13)8-16/h1-7,17H,8,16H2.
What are the key properties of 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide?
2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106060439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).