5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride

C42H48Br2Cl2F2N10O4S2 — CID 159669906

IUPAC5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride
SMILESC[C@H](c1ccc(F)cc1)n1cncc1CN1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1.C[C@H](c1ccc(F)cc1)n1cncc1CN1CCNCC1.Cl.O=S(=O)(Cl)c1ccc(Br)cn1
InChIInChI=1S/C21H23BrFN5O2S.C16H21FN4.C5H3BrClNO2S.ClH/c1-16(17-2-5-19(23)6-3-17)28-15-24-13-20(28)14-26-8-10-27(11-9-26)31(29,30)21-7-4-18(22)12-25-21;1-13(14-2-4-15(17)5-3-14)21-12-19-10-16(21)11-20-8-6-18-7-9-20;6-4-1-2-5(8-3-4)11(7,9)10;/h2-7,12-13,15-16H,8-11,14H2,1H3;2-5,10,12-13,18H,6-9,11H2,1H3;1-3H;1H/t16-;13-;;/m11../s1
InChIKeyNLSXSHLVIZQSSB-UEVYCYTGSA-N
MW1089.76 g/mol
LogP7.53
Rot. Bonds11

About 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride

5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride (PubChem CID 159669906) has the molecular formula C42H48Br2Cl2F2N10O4S2 and a molecular weight of 1089.76 g/mol. Its IUPAC name is 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride
PubChem CID159669906
Molecular FormulaC42H48Br2Cl2F2N10O4S2
Molecular Weight1089.76 g/mol
Exact Mass1086.10
IUPAC Name5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride
SMILESC[C@H](c1ccc(F)cc1)n1cncc1CN1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1.C[C@H](c1ccc(F)cc1)n1cncc1CN1CCNCC1.Cl.O=S(=O)(Cl)c1ccc(Br)cn1
InChIInChI=1S/C21H23BrFN5O2S.C16H21FN4.C5H3BrClNO2S.ClH/c1-16(17-2-5-19(23)6-3-17)28-15-24-13-20(28)14-26-8-10-27(11-9-26)31(29,30)21-7-4-18(22)12-25-21;1-13(14-2-4-15(17)5-3-14)21-12-19-10-16(21)11-20-8-6-18-7-9-20;6-4-1-2-5(8-3-4)11(7,9)10;/h2-7,12-13,15-16H,8-11,14H2,1H3;2-5,10,12-13,18H,6-9,11H2,1H3;1-3H;1H/t16-;13-;;/m11../s1
InChIKeyNLSXSHLVIZQSSB-UEVYCYTGSA-N
XLogP7.53
TPSA151.45 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.76
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride with MolForge

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Related Compounds

1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]-4-[(5-piperazin-1-yl-2-pyridinyl)sulfonyl]piperazine
CID 72721240
1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine
CID 118230714
1-[(5-Bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine
CID 123157764
1-[[3-[1-(4-Fluorophenyl)ethyl]imidazol-4-yl]methyl]-4-[(5-piperazin-1-yl-2-pyridinyl)sulfonyl]piperazine
CID 123952478
3-[5-bromo-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[5-bromo-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;4-fluorobenzenesulfonyl chloride;hydrochloride
CID 157198458
6-bromo-5-methylimidazo[1,2-a]pyridin-2-amine;N-(6-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[3-bromo-2-methyl-6-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromo-6-methylpyridin-2-amine;N-(5-bromo-6-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 158851662
5-Bromo-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine;3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]-5-pyridin-2-ylpyridine;2-methylpyridine
CID 161579346
4-Ethylbenzenesulfonyl chloride;3-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine;methane;2-phenyl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 157712373
1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]-4-[(5-piperazin-1-yl-2-pyridinyl)sulfonyl]piperazine
CID 158484151
[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methanamine;N-[[2-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]phenyl]methyl]pyridine-3-sulfonamide;pyridine-3-sulfonyl chloride
CID 159962057
4-Ethylbenzenesulfonyl chloride;3-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine;2-phenyl-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 160749692
6-Bromoimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine-3-sulfonamide;6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 161815122

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride (CID 159669906) is 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride is C[C@H](c1ccc(F)cc1)n1cncc1CN1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1.C[C@H](c1ccc(F)cc1)n1cncc1CN1CCNCC1.Cl.O=S(=O)(Cl)c1ccc(Br)cn1.
What is the InChIKey of 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride?
The InChIKey is NLSXSHLVIZQSSB-UEVYCYTGSA-N. The full InChI is InChI=1S/C21H23BrFN5O2S.C16H21FN4.C5H3BrClNO2S.ClH/c1-16(17-2-5-19(23)6-3-17)28-15-24-13-20(28)14-26-8-10-27(11-9-26)31(29,30)21-7-4-18(22)12-25-21;1-13(14-2-4-15(17)5-3-14)21-12-19-10-16(21)11-20-8-6-18-7-9-20;6-4-1-2-5(8-3-4)11(7,9)10;/h2-7,12-13,15-16H,8-11,14H2,1H3;2-5,10,12-13,18H,6-9,11H2,1H3;1-3H;1H/t16-;13-;;/m11../s1.
What are the key properties of 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride?
5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride has a molecular weight of 1089.76 g/mol, XLogP of 7.53, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2-sulfonyl chloride;1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;1-[[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 159669906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).