N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide

C10H14FNO3S — CID 58087499

IUPACN-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(CO)c1F
InChIInChI=1S/C10H14FNO3S/c1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11/h3-5,12-13H,2,6-7H2,1H3
InChIKeyPQJVHVCZAXUQDZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.47
Rot. Bonds5

About N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide

N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide (PubChem CID 58087499) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
PubChem CID58087499
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC NameN-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(CO)c1F
InChIInChI=1S/C10H14FNO3S/c1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11/h3-5,12-13H,2,6-7H2,1H3
InChIKeyPQJVHVCZAXUQDZ-UHFFFAOYSA-N
XLogP1.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide (CID 58087499) is N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(CO)c1F.
What is the InChIKey of N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?
The InChIKey is PQJVHVCZAXUQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-2-6-16(14,15)12-9-5-3-4-8(7-13)10(9)11/h3-5,12-13H,2,6-7H2,1H3.
What are the key properties of N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?
N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 58087499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).