6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid

C16H15F2N3O4S — CID 122047606

IUPAC6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H15F2N3O4S/c17-11-4-5-14(12(18)10-11)26(24,25)21-8-6-20(7-9-21)15-3-1-2-13(19-15)16(22)23/h1-5,10H,6-9H2,(H,22,23)
InChIKeyWTIQQNOUXRXBBB-UHFFFAOYSA-N
MW383.38 g/mol
LogP1.57
Rot. Bonds4

About 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122047606) has the molecular formula C16H15F2N3O4S and a molecular weight of 383.38 g/mol. Its IUPAC name is 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122047606
Molecular FormulaC16H15F2N3O4S
Molecular Weight383.38 g/mol
Exact Mass383.08
IUPAC Name6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H15F2N3O4S/c17-11-4-5-14(12(18)10-11)26(24,25)21-8-6-20(7-9-21)15-3-1-2-13(19-15)16(22)23/h1-5,10H,6-9H2,(H,22,23)
InChIKeyWTIQQNOUXRXBBB-UHFFFAOYSA-N
XLogP1.57
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid (CID 122047606) is 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is WTIQQNOUXRXBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O4S/c17-11-4-5-14(12(18)10-11)26(24,25)21-8-6-20(7-9-21)15-3-1-2-13(19-15)16(22)23/h1-5,10H,6-9H2,(H,22,23).
What are the key properties of 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 383.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).