1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine

C14H20ClNO3S — CID 849976

IUPAC1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H20ClNO3S/c1-10-9-12(19-3)14(11(2)13(10)15)20(17,18)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3
InChIKeyFAIZOGRCZOYLPX-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.14
Rot. Bonds3

About 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine

1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine (PubChem CID 849976) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
PubChem CID849976
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
SMILESCOc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H20ClNO3S/c1-10-9-12(19-3)14(11(2)13(10)15)20(17,18)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3
InChIKeyFAIZOGRCZOYLPX-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine (CID 849976) is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine is COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine?
The InChIKey is FAIZOGRCZOYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10-9-12(19-3)14(11(2)13(10)15)20(17,18)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3.
What are the key properties of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine?
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine has a molecular weight of 317.84 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperidine is sourced from PubChem (CID 849976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).