2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride

C11H11Cl3O3S — CID 65458261

IUPAC2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCC2CCC2)cc1Cl
InChIInChI=1S/C11H11Cl3O3S/c12-8-5-11(18(14,15)16)9(13)4-10(8)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyMLLWXTWLZQJEAY-UHFFFAOYSA-N
MW329.63 g/mol
LogP4.10
Rot. Bonds4

About 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride

2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride (PubChem CID 65458261) has the molecular formula C11H11Cl3O3S and a molecular weight of 329.63 g/mol. Its IUPAC name is 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride
PubChem CID65458261
Molecular FormulaC11H11Cl3O3S
Molecular Weight329.63 g/mol
Exact Mass327.95
IUPAC Name2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCC2CCC2)cc1Cl
InChIInChI=1S/C11H11Cl3O3S/c12-8-5-11(18(14,15)16)9(13)4-10(8)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyMLLWXTWLZQJEAY-UHFFFAOYSA-N
XLogP4.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
CID 43560597
5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
CID 65457787
2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
CID 43134405
2,5-dichloro-4-[2-(cyclopropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910142
3-chlorosulfonyl-4-(cyclobutylmethoxy)benzoic acid
CID 65458945
4-[(E)-but-2-enoxy]-2,5-dichlorobenzenesulfonyl chloride
CID 82910234
4-(2-bromoprop-2-enoxy)-2,5-dichlorobenzenesulfonyl chloride
CID 82910553
3-chloro-4-(cyclobutylmethoxy)aniline
CID 65459362
2,5-dichloro-4-(oxolan-3-yloxy)benzenesulfonyl chloride
CID 63557749
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonyl chloride
CID 82913218
2,5-dichloro-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzenesulfonyl chloride
CID 103000398

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride (CID 65458261) is 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(OCC2CCC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride?
The InChIKey is MLLWXTWLZQJEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O3S/c12-8-5-11(18(14,15)16)9(13)4-10(8)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2.
What are the key properties of 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride?
2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride has a molecular weight of 329.63 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 65458261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).