1-(4-phenylphenyl)sulfonylpiperidine

C17H19NO2S — CID 762677

IUPAC1-(4-phenylphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C17H19NO2S/c19-21(20,18-13-5-2-6-14-18)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyKZRSOOWCZWWTHH-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.53
Rot. Bonds3

About 1-(4-phenylphenyl)sulfonylpiperidine

1-(4-phenylphenyl)sulfonylpiperidine (PubChem CID 762677) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfonylpiperidine
PubChem CID762677
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-(4-phenylphenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C17H19NO2S/c19-21(20,18-13-5-2-6-14-18)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyKZRSOOWCZWWTHH-UHFFFAOYSA-N
XLogP3.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
Isoquinoline, 1,2,3,4-tetrahydro-2-(p-tolylsulfonyl)-
CID 276460
4-Benzyl-1-[(4-chlorophenyl)sulfonyl]piperidine
CID 710407
1'-((4-Methylphenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine)
CID 9797987
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
1-(1-Naphthylsulfonyl)piperidine
CID 962543
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
Ditolamide
CID 208847
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
4-Benzenesulfonyl-1-phenethyl-piperidine
CID 10991121

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)sulfonylpiperidine?
The IUPAC name of 1-(4-phenylphenyl)sulfonylpiperidine (CID 762677) is 1-(4-phenylphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(4-phenylphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(4-phenylphenyl)sulfonylpiperidine is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCCCC1.
What is the InChIKey of 1-(4-phenylphenyl)sulfonylpiperidine?
The InChIKey is KZRSOOWCZWWTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-21(20,18-13-5-2-6-14-18)17-11-9-16(10-12-17)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2.
What are the key properties of 1-(4-phenylphenyl)sulfonylpiperidine?
1-(4-phenylphenyl)sulfonylpiperidine has a molecular weight of 301.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)sulfonylpiperidine is sourced from PubChem (CID 762677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).