1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine

C16H13F5N2O2S — CID 138529969

IUPAC1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H13F5N2O2S/c17-11-12(18)14(20)16(15(21)13(11)19)26(24,25)23-8-6-22(7-9-23)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyFUXQGUVSACAFJN-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.89
Rot. Bonds3

About 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine

1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine (PubChem CID 138529969) has the molecular formula C16H13F5N2O2S and a molecular weight of 392.35 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
PubChem CID138529969
Molecular FormulaC16H13F5N2O2S
Molecular Weight392.35 g/mol
Exact Mass392.06
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine
SMILESO=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H13F5N2O2S/c17-11-12(18)14(20)16(15(21)13(11)19)26(24,25)23-8-6-22(7-9-23)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyFUXQGUVSACAFJN-UHFFFAOYSA-N
XLogP2.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(2,3,4,5,6-pentafluorophenyl)sulfonylazetidine
CID 153301466
4-benzyl-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87466555
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
5-methyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1,2-oxazol-3-amine
CID 56920069
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
1-(dichloromethylsulfonyl)-4-phenylpiperazine
CID 10470565
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-(3-chloro-2-methylphenyl)sulfonyl-4-phenylpiperazine
CID 11951648
2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylaniline
CID 129451972

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine (CID 138529969) is 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine is O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine?
The InChIKey is FUXQGUVSACAFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N2O2S/c17-11-12(18)14(20)16(15(21)13(11)19)26(24,25)23-8-6-22(7-9-23)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine?
1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine has a molecular weight of 392.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-4-phenylpiperazine is sourced from PubChem (CID 138529969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).