1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine

C19H22F2N2O2S — CID 8796966

IUPAC1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C19H22F2N2O2S/c1-14-3-4-15(2)16(11-14)13-22-7-9-23(10-8-22)26(24,25)19-12-17(20)5-6-18(19)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyRXANMUJSWLBBFV-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.09
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine

1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine (PubChem CID 8796966) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
PubChem CID8796966
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1
InChIInChI=1S/C19H22F2N2O2S/c1-14-3-4-15(2)16(11-14)13-22-7-9-23(10-8-22)26(24,25)19-12-17(20)5-6-18(19)21/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyRXANMUJSWLBBFV-UHFFFAOYSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 56777767
1-(2,5-difluorophenyl)sulfonyl-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 163331887
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 8818419
2-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8797199
1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 17461113
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243
1-(2-fluoro-5-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 52588474
1-(5-fluoro-2-methylphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 3754471
1-(4-fluorophenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9036604

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine (CID 8796966) is 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine is Cc1ccc(C)c(CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is RXANMUJSWLBBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c1-14-3-4-15(2)16(11-14)13-22-7-9-23(10-8-22)26(24,25)19-12-17(20)5-6-18(19)21/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine?
1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 380.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 8796966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).