1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine

C17H18F2N2O4S2 — CID 17377890

IUPAC1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C17H18F2N2O4S2/c1-13-2-5-15(6-3-13)26(22,23)20-8-10-21(11-9-20)27(24,25)17-12-14(18)4-7-16(17)19/h2-7,12H,8-11H2,1H3
InChIKeyUMXPCAISJQERMQ-UHFFFAOYSA-N
MW416.47 g/mol
LogP1.97
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine

1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 17377890) has the molecular formula C17H18F2N2O4S2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID17377890
Molecular FormulaC17H18F2N2O4S2
Molecular Weight416.47 g/mol
Exact Mass416.07
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C17H18F2N2O4S2/c1-13-2-5-15(6-3-13)26(22,23)20-8-10-21(11-9-20)27(24,25)17-12-14(18)4-7-16(17)19/h2-7,12H,8-11H2,1H3
InChIKeyUMXPCAISJQERMQ-UHFFFAOYSA-N
XLogP1.97
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-5-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 52588474
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 17267165
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 55352164
1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 8796966
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylquinoline
CID 133467536
(2S)-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8797022
7-(2,5-difluorophenyl)-4-(4-methylphenyl)sulfonyl-1,4-thiazepane
CID 90631938

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine (CID 17377890) is 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is UMXPCAISJQERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S2/c1-13-2-5-15(6-3-13)26(22,23)20-8-10-21(11-9-20)27(24,25)17-12-14(18)4-7-16(17)19/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine?
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 416.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 17377890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).