N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide

C11H12FNO3S — CID 54966986

IUPACN-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(C#CCO)ccc1F
InChIInChI=1S/C11H12FNO3S/c1-17(15,16)13-8-10-7-9(3-2-6-14)4-5-11(10)12/h4-5,7,13-14H,6,8H2,1H3
InChIKeyZLCLBPVFDXGRQE-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.22
Rot. Bonds3

About N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide

N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide (PubChem CID 54966986) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide
PubChem CID54966986
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC NameN-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cc(C#CCO)ccc1F
InChIInChI=1S/C11H12FNO3S/c1-17(15,16)13-8-10-7-9(3-2-6-14)4-5-11(10)12/h4-5,7,13-14H,6,8H2,1H3
InChIKeyZLCLBPVFDXGRQE-UHFFFAOYSA-N
XLogP0.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]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-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide (CID 54966986) is N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cc(C#CCO)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide?
The InChIKey is ZLCLBPVFDXGRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-17(15,16)13-8-10-7-9(3-2-6-14)4-5-11(10)12/h4-5,7,13-14H,6,8H2,1H3.
What are the key properties of N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide?
N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide has a molecular weight of 257.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 54966986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).