1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine

C17H23FN4O3S — CID 90534067

IUPAC1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C17H23FN4O3S/c1-14-19-5-6-21(14)10-7-20-8-11-22(12-9-20)26(23,24)17-13-15(18)3-4-16(17)25-2/h3-6,13H,7-12H2,1-2H3
InChIKeyKMKAFWWNDXRCFW-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.35
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine

1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine (PubChem CID 90534067) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
PubChem CID90534067
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC Name1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2C)CC1
InChIInChI=1S/C17H23FN4O3S/c1-14-19-5-6-21(14)10-7-20-8-11-22(12-9-20)26(23,24)17-13-15(18)3-4-16(17)25-2/h3-6,13H,7-12H2,1-2H3
InChIKeyKMKAFWWNDXRCFW-UHFFFAOYSA-N
XLogP1.35
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]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

1-(2,5-dimethoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534054
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534092
1-(5-chloro-2-methylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534079
1-[(4-fluorophenyl)methylsulfonyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534098
1-(4-tert-butylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534091
1-benzyl-4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazine
CID 6499746
1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine
CID 849991
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561408
1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 8818419
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561393
3-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 90571996
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 35881835

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine (CID 90534067) is 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine is COc1ccc(F)cc1S(=O)(=O)N1CCN(CCn2ccnc2C)CC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
The InChIKey is KMKAFWWNDXRCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3S/c1-14-19-5-6-21(14)10-7-20-8-11-22(12-9-20)26(23,24)17-13-15(18)3-4-16(17)25-2/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine?
1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine has a molecular weight of 382.46 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 90534067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).