2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride

C16H22ClFN4O2S — CID 120764443

IUPAC2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESCC(C)n1cnc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)c1.Cl
InChIInChI=1S/C16H21FN4O2S.ClH/c1-12(2)20-10-16(19-11-20)24(22,23)21-7-6-18-9-15(21)13-4-3-5-14(17)8-13;/h3-5,8,10-12,15,18H,6-7,9H2,1-2H3;1H
InChIKeyISDMCLDGYDHFSP-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.36
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride

2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride (PubChem CID 120764443) has the molecular formula C16H22ClFN4O2S and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
PubChem CID120764443
Molecular FormulaC16H22ClFN4O2S
Molecular Weight388.90 g/mol
Exact Mass388.11
IUPAC Name2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESCC(C)n1cnc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)c1.Cl
InChIInChI=1S/C16H21FN4O2S.ClH/c1-12(2)20-10-16(19-11-20)24(22,23)21-7-6-18-9-15(21)13-4-3-5-14(17)8-13;/h3-5,8,10-12,15,18H,6-7,9H2,1-2H3;1H
InChIKeyISDMCLDGYDHFSP-UHFFFAOYSA-N
XLogP2.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120763011
2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
CID 120894828
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
CID 120764447
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
CID 120876763
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
1-(1-ethyl-3-nitropyrazol-4-yl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764493
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120764946
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590
5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride
CID 120764952

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride (CID 120764443) is 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride is CC(C)n1cnc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)c1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is ISDMCLDGYDHFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S.ClH/c1-12(2)20-10-16(19-11-20)24(22,23)21-7-6-18-9-15(21)13-4-3-5-14(17)8-13;/h3-5,8,10-12,15,18H,6-7,9H2,1-2H3;1H.
What are the key properties of 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120764443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).