2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid

C19H22N2O4S — CID 1948

IUPAC2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23)
InChIKeyGNSLACGSDSJAIQ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.43
Rot. Bonds6

About 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid

2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid (PubChem CID 1948) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid
PubChem CID1948
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23)
InChIKeyGNSLACGSDSJAIQ-UHFFFAOYSA-N
XLogP2.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid (CID 1948) is 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid?
The InChIKey is GNSLACGSDSJAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c22-19(23)14-20-26(24,25)18-8-6-17(7-9-18)21-12-10-16(11-13-21)15-4-2-1-3-5-15/h1-9,16,20H,10-14H2,(H,22,23).
What are the key properties of 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid?
2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid has a molecular weight of 374.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-phenylpiperidin-1-yl)phenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 1948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).