1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine

C16H16BrF2N3O2S — CID 133373089

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine
SMILESCc1cc(Br)cnc1N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H16BrF2N3O2S/c1-11-8-12(17)10-20-16(11)21-4-6-22(7-5-21)25(23,24)15-9-13(18)2-3-14(15)19/h2-3,8-10H,4-7H2,1H3
InChIKeyQFIPCZZXSXKDTB-UHFFFAOYSA-N
MW432.29 g/mol
LogP2.94
Rot. Bonds3

About 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine

1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine (PubChem CID 133373089) has the molecular formula C16H16BrF2N3O2S and a molecular weight of 432.29 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine
PubChem CID133373089
Molecular FormulaC16H16BrF2N3O2S
Molecular Weight432.29 g/mol
Exact Mass431.01
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine
SMILESCc1cc(Br)cnc1N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C16H16BrF2N3O2S/c1-11-8-12(17)10-20-16(11)21-4-6-22(7-5-21)25(23,24)15-9-13(18)2-3-14(15)19/h2-3,8-10H,4-7H2,1H3
InChIKeyQFIPCZZXSXKDTB-UHFFFAOYSA-N
XLogP2.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 50947923
5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 126797435
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 81421965
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-methylquinoline
CID 133467536
4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-6-(4-fluorophenyl)pyrimidine
CID 53006608
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133359775
4-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 126792769
3-bromo-4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 133407955
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 38257109
1-(2,5-difluorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808840
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine (CID 133373089) is 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine is Cc1cc(Br)cnc1N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine?
The InChIKey is QFIPCZZXSXKDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N3O2S/c1-11-8-12(17)10-20-16(11)21-4-6-22(7-5-21)25(23,24)15-9-13(18)2-3-14(15)19/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine?
1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine has a molecular weight of 432.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 133373089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).