N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide

C10H13FN2O2S — CID 166681059

IUPACN-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide
SMILESNCC(=CF)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13FN2O2S/c11-6-9(7-12)8-13-16(14,15)10-4-2-1-3-5-10/h1-6,13H,7-8,12H2
InChIKeyDMXOJRWNQJCSJE-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.78
Rot. Bonds5

About N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide

N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide (PubChem CID 166681059) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide
PubChem CID166681059
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC NameN-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide
SMILESNCC(=CF)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13FN2O2S/c11-6-9(7-12)8-13-16(14,15)10-4-2-1-3-5-10/h1-6,13H,7-8,12H2
InChIKeyDMXOJRWNQJCSJE-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide (CID 166681059) is N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide is NCC(=CF)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide?
The InChIKey is DMXOJRWNQJCSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-6-9(7-12)8-13-16(14,15)10-4-2-1-3-5-10/h1-6,13H,7-8,12H2.
What are the key properties of N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide?
N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide has a molecular weight of 244.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-fluoroprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 166681059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).