2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C10H13F2NO3S — CID 65112794

IUPAC2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO3S/c1-10(2,14)6-13-17(15,16)9-5-7(11)3-4-8(9)12/h3-5,13-14H,6H2,1-2H3
InChIKeyVNLCAOWFLPGJJL-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.01
Rot. Bonds4

About 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 65112794) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID65112794
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO3S/c1-10(2,14)6-13-17(15,16)9-5-7(11)3-4-8(9)12/h3-5,13-14H,6H2,1-2H3
InChIKeyVNLCAOWFLPGJJL-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 65112794) is 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is VNLCAOWFLPGJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-10(2,14)6-13-17(15,16)9-5-7(11)3-4-8(9)12/h3-5,13-14H,6H2,1-2H3.
What are the key properties of 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65112794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).