3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride

C12H17ClO3S — CID 99109853

IUPAC3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)ccc1OCC(C)C
InChIInChI=1S/C12H17ClO3S/c1-4-10-7-11(17(13,14)15)5-6-12(10)16-8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyZERIZLLLQNHOGZ-UHFFFAOYSA-N
MW276.78 g/mol
LogP3.21
Rot. Bonds5

About 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride

3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride (PubChem CID 99109853) has the molecular formula C12H17ClO3S and a molecular weight of 276.78 g/mol. Its IUPAC name is 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride
PubChem CID99109853
Molecular FormulaC12H17ClO3S
Molecular Weight276.78 g/mol
Exact Mass276.06
IUPAC Name3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)ccc1OCC(C)C
InChIInChI=1S/C12H17ClO3S/c1-4-10-7-11(17(13,14)15)5-6-12(10)16-8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyZERIZLLLQNHOGZ-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.78
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-(2-methylpropoxy)benzenesulfonyl chloride
CID 98463977
3-ethyl-4-(2-methylpropoxy)aniline
CID 146676297
3-chloro-4-(2-ethylbutoxy)benzenesulfonyl chloride
CID 82925747
4-(2,2-difluoroethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 60922524
3-fluoro-4-(2-methylpentoxy)benzenesulfonyl chloride
CID 78987373
4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-ethylbenzenesulfonyl chloride
CID 52985853
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
2-methyl-1-(2-methylpropoxy)-4-methylsulfonylbenzene
CID 144952178
3-amino-4-(2-methylpropoxy)benzenesulfonic acid
CID 21223116
4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride
CID 82917070
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 61057681
4-pentan-2-yloxy-3-propan-2-ylbenzenesulfonyl chloride
CID 107889742

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride?
The IUPAC name of 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride (CID 99109853) is 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride is CCc1cc(S(=O)(=O)Cl)ccc1OCC(C)C.
What is the InChIKey of 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride?
The InChIKey is ZERIZLLLQNHOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3S/c1-4-10-7-11(17(13,14)15)5-6-12(10)16-8-9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride?
3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride has a molecular weight of 276.78 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methylpropoxy)benzenesulfonyl chloride is sourced from PubChem (CID 99109853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).