1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid

C18H19NO4S — CID 69368579

IUPAC1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H19NO4S/c20-18(21)16-7-4-12-19(13-16)24(22,23)17-10-8-15(9-11-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2,(H,20,21)
InChIKeyCLCBOPDLNSUUKZ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid

1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 69368579) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
PubChem CID69368579
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C18H19NO4S/c20-18(21)16-7-4-12-19(13-16)24(22,23)17-10-8-15(9-11-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2,(H,20,21)
InChIKeyCLCBOPDLNSUUKZ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546
1-[4-(bromomethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 71649595
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
(3S)-1-[4-(cyanomethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 81120949
1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 120968848
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
2-[[1-(4-phenylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120726975
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid (CID 69368579) is 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is CLCBOPDLNSUUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(21)16-7-4-12-19(13-16)24(22,23)17-10-8-15(9-11-17)14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12-13H2,(H,20,21).
What are the key properties of 1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid?
1-(4-phenylphenyl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 2.84, 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-3-carboxylic acid is sourced from PubChem (CID 69368579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).