1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid

C18H19NO4S — CID 23381612

IUPAC1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c20-18(21)17-8-4-5-13-19(17)24(22,23)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,21)
InChIKeyPCDOESGMEDTVFY-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid

1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 23381612) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID23381612
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S/c20-18(21)17-8-4-5-13-19(17)24(22,23)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,21)
InChIKeyPCDOESGMEDTVFY-UHFFFAOYSA-N
XLogP2.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2R)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058609
(2S)-1-(4-acetamidophenyl)sulfonylpiperidine-2-carboxylic acid
CID 7058607
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
(2R)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069647
(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069731
1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-2-carboxylic acid
CID 45307785
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
CID 165347800

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid (CID 23381612) is 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is PCDOESGMEDTVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(21)17-8-4-5-13-19(17)24(22,23)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,21).
What are the key properties of 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid?
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 23381612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).