3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C16H18N2O4S2 — CID 2809668

IUPAC3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C16H18N2O4S2/c19-16(20)15-14(8-11-23-15)24(21,22)17-12-6-2-3-7-13(12)18-9-4-1-5-10-18/h2-3,6-8,11,17H,1,4-5,9-10H2,(H,19,20)
InChIKeyLVMRYUZGVABDST-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.24
Rot. Bonds5

About 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 2809668) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID2809668
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C16H18N2O4S2/c19-16(20)15-14(8-11-23-15)24(21,22)17-12-6-2-3-7-13(12)18-9-4-1-5-10-18/h2-3,6-8,11,17H,1,4-5,9-10H2,(H,19,20)
InChIKeyLVMRYUZGVABDST-UHFFFAOYSA-N
XLogP3.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 2809668) is 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is LVMRYUZGVABDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-16(20)15-14(8-11-23-15)24(21,22)17-12-6-2-3-7-13(12)18-9-4-1-5-10-18/h2-3,6-8,11,17H,1,4-5,9-10H2,(H,19,20).
What are the key properties of 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 2809668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).