1-(4-chlorophenyl)sulfonyl-3-methylpiperidine

C12H16ClNO2S — CID 2842964

IUPAC1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyBNGKTBVBWYCKAF-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.76
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine

1-(4-chlorophenyl)sulfonyl-3-methylpiperidine (PubChem CID 2842964) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
PubChem CID2842964
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyBNGKTBVBWYCKAF-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine (CID 2842964) is 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine is CC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine?
The InChIKey is BNGKTBVBWYCKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine?
1-(4-chlorophenyl)sulfonyl-3-methylpiperidine has a molecular weight of 273.78 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 2842964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).