1,5-dichloropentan-3-ylsulfonylbenzene

C11H14Cl2O2S — CID 88988664

IUPAC1,5-dichloropentan-3-ylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(CCCl)CCCl
InChIInChI=1S/C11H14Cl2O2S/c12-8-6-11(7-9-13)16(14,15)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyXUBCQBUVFKSJIF-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.09
Rot. Bonds6

About 1,5-dichloropentan-3-ylsulfonylbenzene

1,5-dichloropentan-3-ylsulfonylbenzene (PubChem CID 88988664) has the molecular formula C11H14Cl2O2S and a molecular weight of 281.20 g/mol. Its IUPAC name is 1,5-dichloropentan-3-ylsulfonylbenzene.

Molecular Properties

Compound Name1,5-dichloropentan-3-ylsulfonylbenzene
PubChem CID88988664
Molecular FormulaC11H14Cl2O2S
Molecular Weight281.20 g/mol
Exact Mass280.01
IUPAC Name1,5-dichloropentan-3-ylsulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C(CCCl)CCCl
InChIInChI=1S/C11H14Cl2O2S/c12-8-6-11(7-9-13)16(14,15)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyXUBCQBUVFKSJIF-UHFFFAOYSA-N
XLogP3.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromopropan-2-ylsulfonylbenzene
CID 11035244
[1-[1-(benzenesulfonyl)-2-chloroethyl]sulfanyl-2-chloroethyl]sulfonylbenzene
CID 54271033
2,2,6,6-tetramethylheptan-4-ylsulfonylbenzene
CID 102144824
1-chlorohex-5-enylsulfonylbenzene
CID 14785129
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
1-chlorobut-3-enylsulfonylbenzene
CID 13411540
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
2-(benzenesulfonyl)-4-hydroxybutanoic acid
CID 135331065
2-amino-1-(benzenesulfonyl)ethanol
CID 117037374
[chloro(methylsulfinyl)methyl]sulfonylbenzene
CID 89140865
1-bromoethylsulfonylbenzene
CID 13411545
benzenesulfonyl(phenyl)methanol
CID 174895803

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloropentan-3-ylsulfonylbenzene?
The IUPAC name of 1,5-dichloropentan-3-ylsulfonylbenzene (CID 88988664) is 1,5-dichloropentan-3-ylsulfonylbenzene.
What is the SMILES notation for 1,5-dichloropentan-3-ylsulfonylbenzene?
The canonical SMILES for 1,5-dichloropentan-3-ylsulfonylbenzene is O=S(=O)(c1ccccc1)C(CCCl)CCCl.
What is the InChIKey of 1,5-dichloropentan-3-ylsulfonylbenzene?
The InChIKey is XUBCQBUVFKSJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2S/c12-8-6-11(7-9-13)16(14,15)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 1,5-dichloropentan-3-ylsulfonylbenzene?
1,5-dichloropentan-3-ylsulfonylbenzene has a molecular weight of 281.20 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloropentan-3-ylsulfonylbenzene is sourced from PubChem (CID 88988664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).