1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide

C9H11F2NO3S — CID 43508601

IUPAC1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide
SMILESCC(O)c1ccc(NS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H11F2NO3S/c1-6(13)7-2-4-8(5-3-7)12-16(14,15)9(10)11/h2-6,9,12-13H,1H3
InChIKeyBJOYIERUEUDOAW-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.70
Rot. Bonds4

About 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide

1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide (PubChem CID 43508601) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide
PubChem CID43508601
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide
SMILESCC(O)c1ccc(NS(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H11F2NO3S/c1-6(13)7-2-4-8(5-3-7)12-16(14,15)9(10)11/h2-6,9,12-13H,1H3
InChIKeyBJOYIERUEUDOAW-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]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 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide (CID 43508601) is 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide is CC(O)c1ccc(NS(=O)(=O)C(F)F)cc1.
What is the InChIKey of 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide?
The InChIKey is BJOYIERUEUDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c1-6(13)7-2-4-8(5-3-7)12-16(14,15)9(10)11/h2-6,9,12-13H,1H3.
What are the key properties of 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide?
1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide has a molecular weight of 251.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[4-(1-hydroxyethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 43508601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).