2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

C13H10ClF2NO3S — CID 82911549

IUPAC2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCCc2ccccn2)c(F)c1F
InChIInChI=1S/C13H10ClF2NO3S/c14-21(18,19)11-5-4-10(12(15)13(11)16)20-8-6-9-3-1-2-7-17-9/h1-5,7H,6,8H2
InChIKeyJAFGGBAPPSVTTM-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.91
Rot. Bonds5

About 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (PubChem CID 82911549) has the molecular formula C13H10ClF2NO3S and a molecular weight of 333.74 g/mol. Its IUPAC name is 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
PubChem CID82911549
Molecular FormulaC13H10ClF2NO3S
Molecular Weight333.74 g/mol
Exact Mass333.00
IUPAC Name2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCCc2ccccn2)c(F)c1F
InChIInChI=1S/C13H10ClF2NO3S/c14-21(18,19)11-5-4-10(12(15)13(11)16)20-8-6-9-3-1-2-7-17-9/h1-5,7H,6,8H2
InChIKeyJAFGGBAPPSVTTM-UHFFFAOYSA-N
XLogP2.91
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749
2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride
CID 103000433
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911733
2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911972
3-fluoro-4-(2-pyridin-2-ylethoxy)benzoic acid
CID 29006324
3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]pyridine
CID 55148109

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (CID 82911549) is 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCCc2ccccn2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The InChIKey is JAFGGBAPPSVTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO3S/c14-21(18,19)11-5-4-10(12(15)13(11)16)20-8-6-9-3-1-2-7-17-9/h1-5,7H,6,8H2.
What are the key properties of 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride has a molecular weight of 333.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82911549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).