N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide

C13H19FN2O3S — CID 82833714

IUPACN-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCC1CCC(CNc2ccc(F)c(NS(C)(=O)=O)c2)O1
InChIInChI=1S/C13H19FN2O3S/c1-9-3-5-11(19-9)8-15-10-4-6-12(14)13(7-10)16-20(2,17)18/h4,6-7,9,11,15-16H,3,5,8H2,1-2H3
InChIKeyXHEQSGLGDKVBGG-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.18
Rot. Bonds5

About N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide

N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 82833714) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID82833714
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCC1CCC(CNc2ccc(F)c(NS(C)(=O)=O)c2)O1
InChIInChI=1S/C13H19FN2O3S/c1-9-3-5-11(19-9)8-15-10-4-6-12(14)13(7-10)16-20(2,17)18/h4,6-7,9,11,15-16H,3,5,8H2,1-2H3
InChIKeyXHEQSGLGDKVBGG-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide (CID 82833714) is N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide is CC1CCC(CNc2ccc(F)c(NS(C)(=O)=O)c2)O1.
What is the InChIKey of N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is XHEQSGLGDKVBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9-3-5-11(19-9)8-15-10-4-6-12(14)13(7-10)16-20(2,17)18/h4,6-7,9,11,15-16H,3,5,8H2,1-2H3.
What are the key properties of N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide?
N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 82833714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).