2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid

C19H22N2O4S — CID 10894081

IUPAC2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C19H22N2O4S/c22-19(23)18(16-10-12-20-13-11-16)21-26(24,25)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,16,18,20-21H,10-13H2,(H,22,23)
InChIKeyXCRLVDZSHCLDNN-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.08
Rot. Bonds6

About 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid

2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid (PubChem CID 10894081) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid.

Molecular Properties

Compound Name2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid
PubChem CID10894081
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CCNCC1
InChIInChI=1S/C19H22N2O4S/c22-19(23)18(16-10-12-20-13-11-16)21-26(24,25)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,16,18,20-21H,10-13H2,(H,22,23)
InChIKeyXCRLVDZSHCLDNN-UHFFFAOYSA-N
XLogP2.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid?
The IUPAC name of 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid (CID 10894081) is 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid.
What is the SMILES notation for 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid?
The canonical SMILES for 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid is O=C(O)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CCNCC1.
What is the InChIKey of 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid?
The InChIKey is XCRLVDZSHCLDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(23)18(16-10-12-20-13-11-16)21-26(24,25)17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-9,16,18,20-21H,10-13H2,(H,22,23).
What are the key properties of 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid?
2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid has a molecular weight of 374.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)sulfonylamino]-2-piperidin-4-ylacetic acid is sourced from PubChem (CID 10894081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).