1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine

C19H22F2N2O4S2 — CID 17267165

IUPAC1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C19H22F2N2O4S2/c1-14(2)15-3-6-17(7-4-15)28(24,25)22-9-11-23(12-10-22)29(26,27)19-13-16(20)5-8-18(19)21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyREMBCKUWFXKSOA-UHFFFAOYSA-N
MW444.53 g/mol
LogP2.78
Rot. Bonds5

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

1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine (PubChem CID 17267165) has the molecular formula C19H22F2N2O4S2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
PubChem CID17267165
Molecular FormulaC19H22F2N2O4S2
Molecular Weight444.53 g/mol
Exact Mass444.10
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C19H22F2N2O4S2/c1-14(2)15-3-6-17(7-4-15)28(24,25)22-9-11-23(12-10-22)29(26,27)19-13-16(20)5-8-18(19)21/h3-8,13-14H,9-12H2,1-2H3
InChIKeyREMBCKUWFXKSOA-UHFFFAOYSA-N
XLogP2.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
1-(2-fluoro-5-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 52588474
(2S)-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8797022
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-[2-(4-fluorophenyl)ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113074289
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine (CID 17267165) is 1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine is CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
The InChIKey is REMBCKUWFXKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S2/c1-14(2)15-3-6-17(7-4-15)28(24,25)22-9-11-23(12-10-22)29(26,27)19-13-16(20)5-8-18(19)21/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine?
1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine has a molecular weight of 444.53 g/mol, XLogP of 2.78, 5 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-propan-2-ylphenyl)sulfonylpiperazine is sourced from PubChem (CID 17267165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).