1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine

C17H18ClNO2S — CID 46884324

IUPAC1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCCC1c1ccccc1
InChIInChI=1S/C17H18ClNO2S/c18-15-9-11-16(12-10-15)22(20,21)19-13-5-4-8-17(19)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2
InChIKeyBSVIQZGLQZKGRH-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.26
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine

1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine (PubChem CID 46884324) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine
PubChem CID46884324
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCCC1c1ccccc1
InChIInChI=1S/C17H18ClNO2S/c18-15-9-11-16(12-10-15)22(20,21)19-13-5-4-8-17(19)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2
InChIKeyBSVIQZGLQZKGRH-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
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-2-phenylpiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine (CID 46884324) is 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine is O=S(=O)(c1ccc(Cl)cc1)N1CCCCC1c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine?
The InChIKey is BSVIQZGLQZKGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-15-9-11-16(12-10-15)22(20,21)19-13-5-4-8-17(19)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine?
1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine has a molecular weight of 335.86 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidine is sourced from PubChem (CID 46884324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).