5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid

C16H16N2O4S — CID 167756105

IUPAC5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)C2Cc3ccccc3C2)cn1
InChIInChI=1S/C16H16N2O4S/c19-16(20)15-6-5-11(9-17-15)10-18-23(21,22)14-7-12-3-1-2-4-13(12)8-14/h1-6,9,14,18H,7-8,10H2,(H,19,20)
InChIKeyRBZUSUNPWVBHLK-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.37
Rot. Bonds5

About 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid

5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 167756105) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
PubChem CID167756105
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)C2Cc3ccccc3C2)cn1
InChIInChI=1S/C16H16N2O4S/c19-16(20)15-6-5-11(9-17-15)10-18-23(21,22)14-7-12-3-1-2-4-13(12)8-14/h1-6,9,14,18H,7-8,10H2,(H,19,20)
InChIKeyRBZUSUNPWVBHLK-UHFFFAOYSA-N
XLogP1.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid (CID 167756105) is 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNS(=O)(=O)C2Cc3ccccc3C2)cn1.
What is the InChIKey of 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is RBZUSUNPWVBHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-16(20)15-6-5-11(9-17-15)10-18-23(21,22)14-7-12-3-1-2-4-13(12)8-14/h1-6,9,14,18H,7-8,10H2,(H,19,20).
What are the key properties of 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid?
5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167756105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).