2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride

C15H16ClNO3S — CID 82912749

IUPAC2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)cc1OCCc1ccccn1
InChIInChI=1S/C15H16ClNO3S/c1-11-10-15(21(16,18)19)12(2)9-14(11)20-8-6-13-5-3-4-7-17-13/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyWVFOMKHTSIUNCK-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.25
Rot. Bonds5

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

2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (PubChem CID 82912749) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
PubChem CID82912749
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)cc1OCCc1ccccn1
InChIInChI=1S/C15H16ClNO3S/c1-11-10-15(21(16,18)19)12(2)9-14(11)20-8-6-13-5-3-4-7-17-13/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyWVFOMKHTSIUNCK-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

5-fluoro-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82909517
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
2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911549
2,5-dimethyl-4-propoxybenzenesulfonyl chloride
CID 43134395
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 43134390
2,5-dimethyl-4-pentoxybenzenesulfonyl chloride
CID 43134383
2,5-dimethyl-4-octoxybenzenesulfonyl chloride
CID 43134384
4-but-3-ynoxy-2,5-dimethylbenzenesulfonyl chloride
CID 82910392
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
2,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonyl chloride
CID 106451024
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride (CID 82912749) is 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)cc1OCCc1ccccn1.
What is the InChIKey of 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
The InChIKey is WVFOMKHTSIUNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-11-10-15(21(16,18)19)12(2)9-14(11)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 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride?
2,5-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 2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82912749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).