1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine

C21H23BrFN5O2S — CID 123157764

IUPAC1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine
SMILESCC(c1ccc(F)cc1)n1cncc1CN1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C21H23BrFN5O2S/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/h2-7,12-13,15-16H,8-11,14H2,1H3
InChIKeyZPIAWUMEWYJCMO-UHFFFAOYSA-N
MW508.42 g/mol
LogP3.30
Rot. Bonds6

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

1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine (PubChem CID 123157764) has the molecular formula C21H23BrFN5O2S and a molecular weight of 508.42 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine
PubChem CID123157764
Molecular FormulaC21H23BrFN5O2S
Molecular Weight508.42 g/mol
Exact Mass507.07
IUPAC Name1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine
SMILESCC(c1ccc(F)cc1)n1cncc1CN1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C21H23BrFN5O2S/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/h2-7,12-13,15-16H,8-11,14H2,1H3
InChIKeyZPIAWUMEWYJCMO-UHFFFAOYSA-N
XLogP3.30
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-(2-{(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 11364751
N-(2-{(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-imidazole-4-sulfonamide
CID 16086161
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(2-methylprop-2-enyl)pyridine-2-sulfonamide
CID 44391508
4-[2-(5-Bromo-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10671076
3-Bromo-5-[1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-pyridine
CID 10742004
4-[2-(3-Bromo-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10765773
N-benzyl-N-(2-((4-cyanophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)pyridine-2-sulfonamide
CID 16086145
N-(2-((4-cyanophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-N-(cyclohexylmethyl)pyridine-2-sulfonamide
CID 49783194
N-(2-((4-cyano-2-fluorophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-N-(cyclohexylmethyl)pyridine-2-sulfonamide
CID 49783195
N-(2-((5-cyanopyridin-2-yl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-N-(cyclohexylmethyl)pyridine-2-sulfonamide
CID 49783396
2-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
CID 58211295
2-{3-[(3-Methylpiperidin-1-yl)sulfonyl]phenyl}imidazo[1,2-a]pyrimidine
CID 664590

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine (CID 123157764) is 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine is CC(c1ccc(F)cc1)n1cncc1CN1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine?
The InChIKey is ZPIAWUMEWYJCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrFN5O2S/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/h2-7,12-13,15-16H,8-11,14H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine?
1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine has a molecular weight of 508.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)sulfonyl]-4-[[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]methyl]piperazine is sourced from PubChem (CID 123157764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).