2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride

C14H19ClO4S — CID 65163699

IUPAC2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
SMILESCc1c(OCCC2CCCO2)ccc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C14H19ClO4S/c1-10-11(2)14(20(15,16)17)6-5-13(10)19-9-7-12-4-3-8-18-12/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyIXSKLNVJXRQHEK-UHFFFAOYSA-N
MW318.82 g/mol
LogP3.18
Rot. Bonds5

About 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride

2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride (PubChem CID 65163699) has the molecular formula C14H19ClO4S and a molecular weight of 318.82 g/mol. Its IUPAC name is 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
PubChem CID65163699
Molecular FormulaC14H19ClO4S
Molecular Weight318.82 g/mol
Exact Mass318.07
IUPAC Name2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
SMILESCc1c(OCCC2CCCO2)ccc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C14H19ClO4S/c1-10-11(2)14(20(15,16)17)6-5-13(10)19-9-7-12-4-3-8-18-12/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyIXSKLNVJXRQHEK-UHFFFAOYSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride
CID 65163326
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
5-methyl-2-[3-(oxolan-2-yl)propoxy]benzenesulfonamide
CID 65163103
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide
CID 65162551
5-methyl-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride
CID 43591843
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
5-bromo-3-methyl-2-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
CID 63217137
4-(3-cyano-3-methylbutoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82910211
[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
2,6-dimethyl-4-[3-(oxolan-2-yl)propoxy]benzenesulfonyl chloride
CID 65163378
2,3-dimethyl-4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 106722847
2-[3-(4-bromo-2-methylphenoxy)propyl]oxolane
CID 65161593

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride?
The IUPAC name of 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride (CID 65163699) is 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride is Cc1c(OCCC2CCCO2)ccc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride?
The InChIKey is IXSKLNVJXRQHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO4S/c1-10-11(2)14(20(15,16)17)6-5-13(10)19-9-7-12-4-3-8-18-12/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride?
2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride has a molecular weight of 318.82 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonyl chloride is sourced from PubChem (CID 65163699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).