1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine

C16H17FN2O2S — CID 26598110

IUPAC1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine
SMILESO=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C16H17FN2O2S/c17-15-12-14(22(20,21)13-4-2-1-3-5-13)6-7-16(15)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2
InChIKeyQDJNVLAMKGYDKO-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine

1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine (PubChem CID 26598110) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine
PubChem CID26598110
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine
SMILESO=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C16H17FN2O2S/c17-15-12-14(22(20,21)13-4-2-1-3-5-13)6-7-16(15)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2
InChIKeyQDJNVLAMKGYDKO-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine?
The IUPAC name of 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine (CID 26598110) is 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine.
What is the SMILES notation for 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine?
The canonical SMILES for 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine is O=S(=O)(c1ccccc1)c1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine?
The InChIKey is QDJNVLAMKGYDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-15-12-14(22(20,21)13-4-2-1-3-5-13)6-7-16(15)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2.
What are the key properties of 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine?
1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine has a molecular weight of 320.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)-2-fluorophenyl]piperazine is sourced from PubChem (CID 26598110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).