1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine

C19H22F2N2O3S — CID 113081312

IUPAC1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(c3c(F)cccc3F)CC2)cc1C
InChIInChI=1S/C19H22F2N2O3S/c1-13-12-18(14(2)11-17(13)26-3)27(24,25)23-9-7-22(8-10-23)19-15(20)5-4-6-16(19)21/h4-6,11-12H,7-10H2,1-3H3
InChIKeyHMHQRSRZDXFWPR-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.10
Rot. Bonds4

About 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine

1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 113081312) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
PubChem CID113081312
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(c3c(F)cccc3F)CC2)cc1C
InChIInChI=1S/C19H22F2N2O3S/c1-13-12-18(14(2)11-17(13)26-3)27(24,25)23-9-7-22(8-10-23)19-15(20)5-4-6-16(19)21/h4-6,11-12H,7-10H2,1-3H3
InChIKeyHMHQRSRZDXFWPR-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113079942
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343397
2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-oxadiazole
CID 110419120
4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708150
3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 119105960
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637038
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6458543
3-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyridin-4-ylpyridazine
CID 25283732

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine (CID 113081312) is 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(c3c(F)cccc3F)CC2)cc1C.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is HMHQRSRZDXFWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-13-12-18(14(2)11-17(13)26-3)27(24,25)23-9-7-22(8-10-23)19-15(20)5-4-6-16(19)21/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine?
1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 396.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113081312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).