(2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C17H17FN2O5S — CID 8838490

IUPAC(2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H17FN2O5S/c18-14-3-1-2-4-16(14)26(24,25)20-9-7-19(8-10-20)17(23)13-6-5-12(21)11-15(13)22/h1-6,11,21-22H,7-10H2
InChIKeyGVUGXGXWGVMTQA-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.38
Rot. Bonds3

About (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 8838490) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID8838490
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name(2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ccc(O)cc1O)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H17FN2O5S/c18-14-3-1-2-4-16(14)26(24,25)20-9-7-19(8-10-20)17(23)13-6-5-12(21)11-15(13)22/h1-6,11,21-22H,7-10H2
InChIKeyGVUGXGXWGVMTQA-UHFFFAOYSA-N
XLogP1.38
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 8838490) is (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1ccc(O)cc1O)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is GVUGXGXWGVMTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-14-3-1-2-4-16(14)26(24,25)20-9-7-19(8-10-20)17(23)13-6-5-12(21)11-15(13)22/h1-6,11,21-22H,7-10H2.
What are the key properties of (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 380.40 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 8838490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).