1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine

C17H18ClNO2S — CID 890475

IUPAC1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCCC1
InChIInChI=1S/C17H18ClNO2S/c18-16-8-4-14(5-9-16)15-6-10-17(11-7-15)22(20,21)19-12-2-1-3-13-19/h4-11H,1-3,12-13H2
InChIKeySOXJBLXQWWCTNT-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.18
Rot. Bonds3

About 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine

1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine (PubChem CID 890475) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine
PubChem CID890475
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCCC1
InChIInChI=1S/C17H18ClNO2S/c18-16-8-4-14(5-9-16)15-6-10-17(11-7-15)22(20,21)19-12-2-1-3-13-19/h4-11H,1-3,12-13H2
InChIKeySOXJBLXQWWCTNT-UHFFFAOYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine?
The IUPAC name of 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine (CID 890475) is 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine is O=S(=O)(c1ccc(-c2ccc(Cl)cc2)cc1)N1CCCCC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine?
The InChIKey is SOXJBLXQWWCTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-16-8-4-14(5-9-16)15-6-10-17(11-7-15)22(20,21)19-12-2-1-3-13-19/h4-11H,1-3,12-13H2.
What are the key properties of 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine?
1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine has a molecular weight of 335.86 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 890475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).