1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine

C17H17BrF2N2O4S2 — CID 26530634

IUPAC1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc1Br
InChIInChI=1S/C17H17BrF2N2O4S2/c1-12-10-14(3-4-15(12)18)27(23,24)21-6-8-22(9-7-21)28(25,26)17-5-2-13(19)11-16(17)20/h2-5,10-11H,6-9H2,1H3
InChIKeyXZMKSFHPWBOMET-UHFFFAOYSA-N
MW495.37 g/mol
LogP2.73
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine

1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine (PubChem CID 26530634) has the molecular formula C17H17BrF2N2O4S2 and a molecular weight of 495.37 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
PubChem CID26530634
Molecular FormulaC17H17BrF2N2O4S2
Molecular Weight495.37 g/mol
Exact Mass493.98
IUPAC Name1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc1Br
InChIInChI=1S/C17H17BrF2N2O4S2/c1-12-10-14(3-4-15(12)18)27(23,24)21-6-8-22(9-7-21)28(25,26)17-5-2-13(19)11-16(17)20/h2-5,10-11H,6-9H2,1H3
InChIKeyXZMKSFHPWBOMET-UHFFFAOYSA-N
XLogP2.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
1-(4-bromo-3-methylphenyl)sulfonylpyrrolidine
CID 4885054
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 103697257
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 91670238
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 113349608
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 166178395
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
1-(4-chloro-2-fluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 55352164
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine (CID 26530634) is 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine is Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
The InChIKey is XZMKSFHPWBOMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2O4S2/c1-12-10-14(3-4-15(12)18)27(23,24)21-6-8-22(9-7-21)28(25,26)17-5-2-13(19)11-16(17)20/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine?
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine has a molecular weight of 495.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 26530634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).