2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride

C16H16Cl2F2N2O2S — CID 120777039

IUPAC2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(F)c1F)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H15ClF2N2O2S.ClH/c17-12-4-1-3-11(9-12)14-10-20-7-8-21(14)24(22,23)15-6-2-5-13(18)16(15)19;/h1-6,9,14,20H,7-8,10H2;1H
InChIKeyOYCJXSBJZULILD-UHFFFAOYSA-N
MW409.29 g/mol
LogP3.38
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride

2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride (PubChem CID 120777039) has the molecular formula C16H16Cl2F2N2O2S and a molecular weight of 409.29 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
PubChem CID120777039
Molecular FormulaC16H16Cl2F2N2O2S
Molecular Weight409.29 g/mol
Exact Mass408.03
IUPAC Name2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(F)c1F)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C16H15ClF2N2O2S.ClH/c17-12-4-1-3-11(9-12)14-10-20-7-8-21(14)24(22,23)15-6-2-5-13(18)16(15)19;/h1-6,9,14,20H,7-8,10H2;1H
InChIKeyOYCJXSBJZULILD-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
CID 120776793
5-chloro-3-[2-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine;hydrochloride
CID 120776773
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764720
4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 120776845
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
2-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)sulfonylpiperazine
CID 120776752
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840
2-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 120876916
2-(3-chlorophenyl)-1-(4-methyl-3-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120776785
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate
CID 120776778

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride (CID 120777039) is 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1cccc(F)c1F)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride?
The InChIKey is OYCJXSBJZULILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2S.ClH/c17-12-4-1-3-11(9-12)14-10-20-7-8-21(14)24(22,23)15-6-2-5-13(18)16(15)19;/h1-6,9,14,20H,7-8,10H2;1H.
What are the key properties of 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride?
2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride has a molecular weight of 409.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,3-difluorophenyl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120777039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).