2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride

C14H15ClN2O3S — CID 82911702

IUPAC2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCc1ncccn1
InChIInChI=1S/C14H15ClN2O3S/c1-9-7-12(21(15,18)19)10(2)11(3)14(9)20-8-13-16-5-4-6-17-13/h4-7H,8H2,1-3H3
InChIKeyYMUKYDKPXIYFGO-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.91
Rot. Bonds4

About 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride

2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride (PubChem CID 82911702) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
PubChem CID82911702
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCc1ncccn1
InChIInChI=1S/C14H15ClN2O3S/c1-9-7-12(21(15,18)19)10(2)11(3)14(9)20-8-13-16-5-4-6-17-13/h4-7H,8H2,1-3H3
InChIKeyYMUKYDKPXIYFGO-UHFFFAOYSA-N
XLogP2.91
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910110
2,3,5-trimethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82911706
4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride
CID 80699431
2,3,5-trimethyl-4-(2-methylprop-2-enoxy)benzenesulfonyl chloride
CID 82909947
3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910807
5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910104
5-bromo-2-fluoro-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82921328
5-bromo-3-methyl-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 112620733
4-hydroxy-2,3,5-trimethylbenzenesulfonyl chloride
CID 82912727
5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911733
2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749
2,3,5-trimethylbenzenesulfonyl chloride
CID 87650117

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride (CID 82911702) is 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)c(C)c1OCc1ncccn1.
What is the InChIKey of 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
The InChIKey is YMUKYDKPXIYFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-7-12(21(15,18)19)10(2)11(3)14(9)20-8-13-16-5-4-6-17-13/h4-7H,8H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride?
2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride has a molecular weight of 326.81 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 82911702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).