2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

C15H16ClNO3S — CID 82911972

IUPAC2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESCc1cc(OCCc2ccccn2)cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C15H16ClNO3S/c1-11-9-14(10-12(2)15(11)21(16,18)19)20-8-6-13-5-3-4-7-17-13/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyDIVMLYDYDMQUCR-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.25
Rot. Bonds5

About 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (PubChem CID 82911972) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
PubChem CID82911972
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESCc1cc(OCCc2ccccn2)cc(C)c1S(=O)(=O)Cl
InChIInChI=1S/C15H16ClNO3S/c1-11-9-14(10-12(2)15(11)21(16,18)19)20-8-6-13-5-3-4-7-17-13/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyDIVMLYDYDMQUCR-UHFFFAOYSA-N
XLogP3.25
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749
5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911733
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390
5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911549
4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
CID 169372850
2-[2-[3-(chloromethyl)phenoxy]ethyl]pyridine
CID 60892629
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
2-(4-chloro-3,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39396825
2-(2-pyridin-2-ylethoxy)ethyl methanesulfonate
CID 164863445
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (CID 82911972) is 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is Cc1cc(OCCc2ccccn2)cc(C)c1S(=O)(=O)Cl.
What is the InChIKey of 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The InChIKey is DIVMLYDYDMQUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-9-14(10-12(2)15(11)21(16,18)19)20-8-6-13-5-3-4-7-17-13/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride has a molecular weight of 325.82 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82911972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).