1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C15H20ClFN4O2S — CID 120894523

IUPAC1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCc1cc(F)cc(S(=O)(=O)N2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C15H19FN4O2S.ClH/c1-11-7-12(16)9-13(8-11)23(21,22)20-6-3-17-10-14(20)15-18-4-5-19(15)2;/h4-5,7-9,14,17H,3,6,10H2,1-2H3;1H
InChIKeyLZPBRDIEWJWRFQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.62
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120894523) has the molecular formula C15H20ClFN4O2S and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120894523
Molecular FormulaC15H20ClFN4O2S
Molecular Weight374.87 g/mol
Exact Mass374.10
IUPAC Name1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCc1cc(F)cc(S(=O)(=O)N2CCNCC2c2nccn2C)c1.Cl
InChIInChI=1S/C15H19FN4O2S.ClH/c1-11-7-12(16)9-13(8-11)23(21,22)20-6-3-17-10-14(20)15-18-4-5-19(15)2;/h4-5,7-9,14,17H,3,6,10H2,1-2H3;1H
InChIKeyLZPBRDIEWJWRFQ-UHFFFAOYSA-N
XLogP1.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894696
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-(3-bromo-4-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894630
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894875
1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894767
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894344
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-[4-(2,2-difluoroethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894653
2-chloro-5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120895229
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120894523) is 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cc1cc(F)cc(S(=O)(=O)N2CCNCC2c2nccn2C)c1.Cl.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is LZPBRDIEWJWRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S.ClH/c1-11-7-12(16)9-13(8-11)23(21,22)20-6-3-17-10-14(20)15-18-4-5-19(15)2;/h4-5,7-9,14,17H,3,6,10H2,1-2H3;1H.
What are the key properties of 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120894523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).