2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid

C15H17N3O5S — CID 175952609

IUPAC2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(C(=O)O)ccn3)CC2)o1
InChIInChI=1S/C15H17N3O5S/c1-11-2-3-14(23-11)24(21,22)18-8-6-17(7-9-18)13-10-12(15(19)20)4-5-16-13/h2-5,10H,6-9H2,1H3,(H,19,20)
InChIKeyZANGVGSYMGACKN-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.19
Rot. Bonds4

About 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid

2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid (PubChem CID 175952609) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid
PubChem CID175952609
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCN(c3cc(C(=O)O)ccn3)CC2)o1
InChIInChI=1S/C15H17N3O5S/c1-11-2-3-14(23-11)24(21,22)18-8-6-17(7-9-18)13-10-12(15(19)20)4-5-16-13/h2-5,10H,6-9H2,1H3,(H,19,20)
InChIKeyZANGVGSYMGACKN-UHFFFAOYSA-N
XLogP1.19
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid (CID 175952609) is 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCN(c3cc(C(=O)O)ccn3)CC2)o1.
What is the InChIKey of 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is ZANGVGSYMGACKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-11-2-3-14(23-11)24(21,22)18-8-6-17(7-9-18)13-10-12(15(19)20)4-5-16-13/h2-5,10H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid?
2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 351.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 175952609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).