2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide

C10H9F2NO3S — CID 54926343

IUPAC2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(F)cc(F)cc1C#CCO
InChIInChI=1S/C10H9F2NO3S/c1-13-17(15,16)10-7(3-2-4-14)5-8(11)6-9(10)12/h5-6,13-14H,4H2,1H3
InChIKeyGBJZLLDWHOXPIE-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.22
Rot. Bonds2

About 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide

2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide (PubChem CID 54926343) has the molecular formula C10H9F2NO3S and a molecular weight of 261.25 g/mol. Its IUPAC name is 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
PubChem CID54926343
Molecular FormulaC10H9F2NO3S
Molecular Weight261.25 g/mol
Exact Mass261.03
IUPAC Name2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(F)cc(F)cc1C#CCO
InChIInChI=1S/C10H9F2NO3S/c1-13-17(15,16)10-7(3-2-4-14)5-8(11)6-9(10)12/h5-6,13-14H,4H2,1H3
InChIKeyGBJZLLDWHOXPIE-UHFFFAOYSA-N
XLogP0.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 24319583
CID 24319583
CID 136532536
CID 136532536
CID 100945904
CID 100945904
CID 21069935
CID 21069935
CID 103834006
CID 103834006
CID 130161056
CID 130161056
CID 169102934
CID 169102934
CID 1725748
CID 1725748
CID 102154017
CID 102154017
CID 1630697
CID 1630697
CID 3527480
CID 3527480
CID 15944544
CID 15944544

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide (CID 54926343) is 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1c(F)cc(F)cc1C#CCO.
What is the InChIKey of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
The InChIKey is GBJZLLDWHOXPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3S/c1-13-17(15,16)10-7(3-2-4-14)5-8(11)6-9(10)12/h5-6,13-14H,4H2,1H3.
What are the key properties of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide?
2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide has a molecular weight of 261.25 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54926343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).