1-(3,4-dichlorophenyl)sulfonylpiperidine

C11H13Cl2NO2S — CID 810121

IUPAC1-(3,4-dichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C11H13Cl2NO2S/c12-10-5-4-9(8-11(10)13)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyRUQZFRURDPOVML-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.17
Rot. Bonds2

About 1-(3,4-dichlorophenyl)sulfonylpiperidine

1-(3,4-dichlorophenyl)sulfonylpiperidine (PubChem CID 810121) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonylpiperidine
PubChem CID810121
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name1-(3,4-dichlorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C11H13Cl2NO2S/c12-10-5-4-9(8-11(10)13)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
InChIKeyRUQZFRURDPOVML-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonylpiperidine (CID 810121) is 1-(3,4-dichlorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonylpiperidine?
The InChIKey is RUQZFRURDPOVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c12-10-5-4-9(8-11(10)13)17(15,16)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonylpiperidine?
1-(3,4-dichlorophenyl)sulfonylpiperidine has a molecular weight of 294.20 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonylpiperidine is sourced from PubChem (CID 810121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).