1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride

C10H13Cl2FN2O2S — CID 119961774

IUPAC1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(F)cc1Cl)N1CCNCC1
InChIInChI=1S/C10H12ClFN2O2S.ClH/c11-9-7-8(12)1-2-10(9)17(15,16)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H
InChIKeyZJIWJQVQQDLLEO-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.49
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride

1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride (PubChem CID 119961774) has the molecular formula C10H13Cl2FN2O2S and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
PubChem CID119961774
Molecular FormulaC10H13Cl2FN2O2S
Molecular Weight315.20 g/mol
Exact Mass314.01
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(F)cc1Cl)N1CCNCC1
InChIInChI=1S/C10H12ClFN2O2S.ClH/c11-9-7-8(12)1-2-10(9)17(15,16)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H
InChIKeyZJIWJQVQQDLLEO-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
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4-(2-chloro-4-fluorophenyl)sulfonylpiperazine-2,6-dione
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1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
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1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
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1-(2-chloro-4-fluorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714306
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
(3R)-1-(2-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 66291100
1-(2-chloro-4-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
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CID 170075092

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride (CID 119961774) is 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1ccc(F)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is ZJIWJQVQQDLLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2S.ClH/c11-9-7-8(12)1-2-10(9)17(15,16)14-5-3-13-4-6-14;/h1-2,7,13H,3-6H2;1H.
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride?
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 315.20 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119961774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).