1-(2,4-difluorophenyl)sulfonylpiperazine

C10H12F2N2O2S — CID 4962596

IUPAC1-(2,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C10H12F2N2O2S/c11-8-1-2-10(9(12)7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyBRCOHNLEUVNZPY-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.56
Rot. Bonds2

About 1-(2,4-difluorophenyl)sulfonylpiperazine

1-(2,4-difluorophenyl)sulfonylpiperazine (PubChem CID 4962596) has the molecular formula C10H12F2N2O2S and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonylpiperazine
PubChem CID4962596
Molecular FormulaC10H12F2N2O2S
Molecular Weight262.28 g/mol
Exact Mass262.06
IUPAC Name1-(2,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCNCC1
InChIInChI=1S/C10H12F2N2O2S/c11-8-1-2-10(9(12)7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2
InChIKeyBRCOHNLEUVNZPY-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzenesulfonyl)piperazine
CID 808712
1,4-Bis[(2,6-difluorophenyl)sulfonyl]piperazine
CID 25243724
1-(4-Fluorobenzenesulfonyl)piperazine
CID 2063342
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
N-(2-aminoethyl)benzenesulfonamide
CID 12841745
N-Ethyl-4-fluorobenzenesulfonamide
CID 565733
4-Iodo-N-(2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 10023529
N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 5063897
4-(4-Fluorophenylsulfonyl)piperazin-2-one
CID 4320295
1-[3-(Trifluoromethyl)benzenesulfonyl]piperazine
CID 2305612
1-(Benzenesulfonyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1151435
1-[(2,5-Difluorophenyl)sulfonyl]-4-[(4-fluorophenyl)sulfonyl]piperazine
CID 6466312

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonylpiperazine (CID 4962596) is 1-(2,4-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)cc1F)N1CCNCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonylpiperazine?
The InChIKey is BRCOHNLEUVNZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2S/c11-8-1-2-10(9(12)7-8)17(15,16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonylpiperazine?
1-(2,4-difluorophenyl)sulfonylpiperazine has a molecular weight of 262.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 4962596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).