N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide

C15H23FN2O3S — CID 129380771

IUPACN-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide
SMILESCC(C)Nc1cccc(F)c1NS(=O)(=O)C[C@@H]1CCCCO1
InChIInChI=1S/C15H23FN2O3S/c1-11(2)17-14-8-5-7-13(16)15(14)18-22(19,20)10-12-6-3-4-9-21-12/h5,7-8,11-12,17-18H,3-4,6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyRGYLVSWEQKUUSF-LBPRGKRZSA-N
MW330.43 g/mol
LogP2.96
Rot. Bonds6

About N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide

N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide (PubChem CID 129380771) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide
PubChem CID129380771
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC NameN-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide
SMILESCC(C)Nc1cccc(F)c1NS(=O)(=O)C[C@@H]1CCCCO1
InChIInChI=1S/C15H23FN2O3S/c1-11(2)17-14-8-5-7-13(16)15(14)18-22(19,20)10-12-6-3-4-9-21-12/h5,7-8,11-12,17-18H,3-4,6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyRGYLVSWEQKUUSF-LBPRGKRZSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide (CID 129380771) is N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide is CC(C)Nc1cccc(F)c1NS(=O)(=O)C[C@@H]1CCCCO1.
What is the InChIKey of N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide?
The InChIKey is RGYLVSWEQKUUSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-11(2)17-14-8-5-7-13(16)15(14)18-22(19,20)10-12-6-3-4-9-21-12/h5,7-8,11-12,17-18H,3-4,6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide?
N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-(propan-2-ylamino)phenyl]-1-[(2S)-oxan-2-yl]methanesulfonamide is sourced from PubChem (CID 129380771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).