3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride

C10H14ClFN2O2S — CID 166000810

IUPAC3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H13FN2O2S.ClH/c11-16(14,15)10-3-1-2-9(8-10)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H
InChIKeyCBOAPZHXSUBUQZ-UHFFFAOYSA-N
MW280.75 g/mol
LogP1.18
Rot. Bonds2

About 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride

3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride (PubChem CID 166000810) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
PubChem CID166000810
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
SMILESCl.O=S(=O)(F)c1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H13FN2O2S.ClH/c11-16(14,15)10-3-1-2-9(8-10)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H
InChIKeyCBOAPZHXSUBUQZ-UHFFFAOYSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride?
The IUPAC name of 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride (CID 166000810) is 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride.
What is the SMILES notation for 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride?
The canonical SMILES for 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride is Cl.O=S(=O)(F)c1cccc(N2CCNCC2)c1.
What is the InChIKey of 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride?
The InChIKey is CBOAPZHXSUBUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S.ClH/c11-16(14,15)10-3-1-2-9(8-10)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H.
What are the key properties of 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride?
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 166000810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).