2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide

C14H15FN2O2S — CID 106911076

IUPAC2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-16-10-11-6-8-12(9-7-11)17-20(18,19)14-5-3-2-4-13(14)15/h2-9,16-17H,10H2,1H3
InChIKeyMISKPBOQKUWUTC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.35
Rot. Bonds5

About 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide

2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 106911076) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID106911076
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccc(NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-16-10-11-6-8-12(9-7-11)17-20(18,19)14-5-3-2-4-13(14)15/h2-9,16-17H,10H2,1H3
InChIKeyMISKPBOQKUWUTC-UHFFFAOYSA-N
XLogP2.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
CID 2697045
4-[2-[4-[(2-fluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689846
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
4-[(2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580823
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
5-[(2-fluorophenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519696
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
N-[3-(ethylaminomethyl)phenyl]-2-fluorobenzenesulfonamide
CID 43606250
2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide
CID 63495225
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267865
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-fluorobenzenesulfonamide
CID 60814453

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide (CID 106911076) is 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccc(NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is MISKPBOQKUWUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-16-10-11-6-8-12(9-7-11)17-20(18,19)14-5-3-2-4-13(14)15/h2-9,16-17H,10H2,1H3.
What are the key properties of 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide?
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 106911076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).