3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

C13H10ClF2NO3S — CID 82912390

IUPAC3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCCc2ccccn2)c(F)c1
InChIInChI=1S/C13H10ClF2NO3S/c14-21(18,19)10-7-11(15)13(12(16)8-10)20-6-4-9-3-1-2-5-17-9/h1-3,5,7-8H,4,6H2
InChIKeyNGZVDGORILVPTH-UHFFFAOYSA-N
MW333.74 g/mol
LogP2.91
Rot. Bonds5

About 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (PubChem CID 82912390) has the molecular formula C13H10ClF2NO3S and a molecular weight of 333.74 g/mol. Its IUPAC name is 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
PubChem CID82912390
Molecular FormulaC13H10ClF2NO3S
Molecular Weight333.74 g/mol
Exact Mass333.00
IUPAC Name3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCCc2ccccn2)c(F)c1
InChIInChI=1S/C13H10ClF2NO3S/c14-21(18,19)10-7-11(15)13(12(16)8-10)20-6-4-9-3-1-2-5-17-9/h1-3,5,7-8H,4,6H2
InChIKeyNGZVDGORILVPTH-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

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Related Compounds

5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911549
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
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
CID 60892612
4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 104796604
4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82912389
3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (CID 82912390) is 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)c(OCCc2ccccn2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The InChIKey is NGZVDGORILVPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO3S/c14-21(18,19)10-7-11(15)13(12(16)8-10)20-6-4-9-3-1-2-5-17-9/h1-3,5,7-8H,4,6H2.
What are the key properties of 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
3,5-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 3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82912390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).