N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide

C10H13F2NO3S — CID 59418478

IUPACN-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(CO)c1F
InChIInChI=1S/C10H13F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,13-14H,2,5-6H2,1H3
InChIKeyLZTKEAALWLGTKA-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.61
Rot. Bonds5

About N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide (PubChem CID 59418478) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
PubChem CID59418478
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC NameN-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(CO)c1F
InChIInChI=1S/C10H13F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,13-14H,2,5-6H2,1H3
InChIKeyLZTKEAALWLGTKA-UHFFFAOYSA-N
XLogP1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide (CID 59418478) is N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(CO)c1F.
What is the InChIKey of N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?
The InChIKey is LZTKEAALWLGTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12/h3-4,13-14H,2,5-6H2,1H3.
What are the key properties of N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide?
N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide has a molecular weight of 265.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-(hydroxymethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 59418478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).