N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide

C12H17FN2O3S — CID 55175080

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCc1cc(NS(=O)(=O)CC2CCCO2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c13-12-4-3-10(6-9(12)7-14)15-19(16,17)8-11-2-1-5-18-11/h3-4,6,11,15H,1-2,5,7-8,14H2
InChIKeySUFOGLRIPGSKPZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.21
Rot. Bonds5

About N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide

N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55175080) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55175080
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCc1cc(NS(=O)(=O)CC2CCCO2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c13-12-4-3-10(6-9(12)7-14)15-19(16,17)8-11-2-1-5-18-11/h3-4,6,11,15H,1-2,5,7-8,14H2
InChIKeySUFOGLRIPGSKPZ-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide (CID 55175080) is N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide is NCc1cc(NS(=O)(=O)CC2CCCO2)ccc1F.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is SUFOGLRIPGSKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-12-4-3-10(6-9(12)7-14)15-19(16,17)8-11-2-1-5-18-11/h3-4,6,11,15H,1-2,5,7-8,14H2.
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55175080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).