2,5-dimethyl-4-propoxybenzenesulfonyl chloride

C11H15ClO3S — CID 43134395

IUPAC2,5-dimethyl-4-propoxybenzenesulfonyl chloride
SMILESCCCOc1cc(C)c(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C11H15ClO3S/c1-4-5-15-10-6-9(3)11(7-8(10)2)16(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyPRSIYBRGHYZNTG-UHFFFAOYSA-N
MW262.76 g/mol
LogP3.02
Rot. Bonds4

About 2,5-dimethyl-4-propoxybenzenesulfonyl chloride

2,5-dimethyl-4-propoxybenzenesulfonyl chloride (PubChem CID 43134395) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 2,5-dimethyl-4-propoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dimethyl-4-propoxybenzenesulfonyl chloride
PubChem CID43134395
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name2,5-dimethyl-4-propoxybenzenesulfonyl chloride
SMILESCCCOc1cc(C)c(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C11H15ClO3S/c1-4-5-15-10-6-9(3)11(7-8(10)2)16(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyPRSIYBRGHYZNTG-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-4-pentoxybenzenesulfonyl chloride
CID 43134383
2,5-dimethyl-4-octoxybenzenesulfonyl chloride
CID 43134384
4-heptoxy-2,5-dimethylbenzenesulfonyl chloride
CID 43247011
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 43134390
4-(3,3-dimethylbutoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 61481541
4-(3-methoxypropoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 60925970
4-but-3-ynoxy-2,5-dimethylbenzenesulfonyl chloride
CID 82910392
2,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonyl chloride
CID 106451024
2,5-dimethyl-4-pent-4-enoxybenzenesulfonyl chloride
CID 82910218
4-butoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004742
4-(2-ethylhexoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 78974790
methyl 2-(4-chlorosulfonyl-2,5-dimethylphenoxy)acetate
CID 99109854

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-propoxybenzenesulfonyl chloride?
The IUPAC name of 2,5-dimethyl-4-propoxybenzenesulfonyl chloride (CID 43134395) is 2,5-dimethyl-4-propoxybenzenesulfonyl chloride.
What is the SMILES notation for 2,5-dimethyl-4-propoxybenzenesulfonyl chloride?
The canonical SMILES for 2,5-dimethyl-4-propoxybenzenesulfonyl chloride is CCCOc1cc(C)c(S(=O)(=O)Cl)cc1C.
What is the InChIKey of 2,5-dimethyl-4-propoxybenzenesulfonyl chloride?
The InChIKey is PRSIYBRGHYZNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-4-5-15-10-6-9(3)11(7-8(10)2)16(12,13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-propoxybenzenesulfonyl chloride?
2,5-dimethyl-4-propoxybenzenesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-propoxybenzenesulfonyl chloride is sourced from PubChem (CID 43134395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).