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

C19H22F2N2O3S — CID 113079942

IUPAC1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H22F2N2O3S/c1-13-10-18(26-3)19(11-14(13)2)27(24,25)23-8-6-22(7-9-23)17-5-4-15(20)12-16(17)21/h4-5,10-12H,6-9H2,1-3H3
InChIKeyQEZXLAACQDAROL-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.10
Rot. Bonds4

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

1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 113079942) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
PubChem CID113079942
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H22F2N2O3S/c1-13-10-18(26-3)19(11-14(13)2)27(24,25)23-8-6-22(7-9-23)17-5-4-15(20)12-16(17)21/h4-5,10-12H,6-9H2,1-3H3
InChIKeyQEZXLAACQDAROL-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-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 6464219
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90589892
1-(2,6-difluorophenyl)-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 113081312
1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 778428
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 1085531
6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636596
1-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 113076822
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
4-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 113081099

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine (CID 113079942) is 1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine is COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is QEZXLAACQDAROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-13-10-18(26-3)19(11-14(13)2)27(24,25)23-8-6-22(7-9-23)17-5-4-15(20)12-16(17)21/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
1-(2,4-difluorophenyl)-4-(2-methoxy-4,5-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-(2,4-difluorophenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113079942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).