2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide

C13H12F2N2O2S — CID 106060604

IUPAC2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12F2N2O2S/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
InChIKeyOVMDAFKEFSVDBM-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.22
Rot. Bonds4

About 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide

2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 106060604) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID106060604
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12F2N2O2S/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
InChIKeyOVMDAFKEFSVDBM-UHFFFAOYSA-N
XLogP2.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-chlorophenyl)-5-fluorobenzenesulfonamide
CID 106060439
2-(aminomethyl)-5-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061701
5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060630
2-(aminomethyl)-N-(4-bromo-3-fluorophenyl)-5-fluorobenzenesulfonamide
CID 106067079
2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide
CID 106088872
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
5-(aminomethyl)-N-(3-fluorophenyl)furan-2-sulfonamide
CID 106060640
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide (CID 106060604) is 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide is NCc1ccc(F)cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is OVMDAFKEFSVDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/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)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 106060604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).