1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine

C17H18F2N2O4S2 — CID 46633054

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H18F2N2O4S2/c1-13-11-15(19)5-6-17(13)27(24,25)21-9-7-20(8-10-21)26(22,23)16-4-2-3-14(18)12-16/h2-6,11-12H,7-10H2,1H3
InChIKeyNIRPEJUNHMMYGH-UHFFFAOYSA-N
MW416.47 g/mol
LogP1.97
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine

1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine (PubChem CID 46633054) has the molecular formula C17H18F2N2O4S2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
PubChem CID46633054
Molecular FormulaC17H18F2N2O4S2
Molecular Weight416.47 g/mol
Exact Mass416.07
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H18F2N2O4S2/c1-13-11-15(19)5-6-17(13)27(24,25)21-9-7-20(8-10-21)26(22,23)16-4-2-3-14(18)12-16/h2-6,11-12H,7-10H2,1H3
InChIKeyNIRPEJUNHMMYGH-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

1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
1-(3-fluorophenyl)sulfonyl-4-(2-methyl-3-nitrophenyl)sulfonylpiperazine
CID 35302084
1-(2-ethyl-6-methylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
CID 113076048
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072902
1-(2-ethylphenyl)-4-(4-fluoro-2-methylphenyl)sulfonylpiperazine
CID 113075851
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26530634
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(4-fluoro-2-methylphenyl)sulfonyl-1,4-diazepan-5-one
CID 30668162

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine (CID 46633054) is 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine is Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
The InChIKey is NIRPEJUNHMMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S2/c1-13-11-15(19)5-6-17(13)27(24,25)21-9-7-20(8-10-21)26(22,23)16-4-2-3-14(18)12-16/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine?
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)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-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 46633054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).