4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride

C18H23ClFN3O2S — CID 120764419

IUPAC4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C18H22FN3O2S.ClH/c1-21(2)16-6-8-17(9-7-16)25(23,24)22-11-10-20-13-18(22)14-4-3-5-15(19)12-14;/h3-9,12,18,20H,10-11,13H2,1-2H3;1H
InChIKeyOISWUGBJVCZKKK-UHFFFAOYSA-N
MW399.92 g/mol
LogP2.65
Rot. Bonds4

About 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride

4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride (PubChem CID 120764419) has the molecular formula C18H23ClFN3O2S and a molecular weight of 399.92 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
PubChem CID120764419
Molecular FormulaC18H23ClFN3O2S
Molecular Weight399.92 g/mol
Exact Mass399.12
IUPAC Name4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
SMILESCN(C)c1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C18H22FN3O2S.ClH/c1-21(2)16-6-8-17(9-7-16)25(23,24)22-11-10-20-13-18(22)14-4-3-5-15(19)12-14;/h3-9,12,18,20H,10-11,13H2,1-2H3;1H
InChIKeyOISWUGBJVCZKKK-UHFFFAOYSA-N
XLogP2.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120764702
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)sulfonylpiperazine
CID 120764749
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120764946
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
CID 120764447
5-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine;hydrochloride
CID 120764952
1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
CID 120764648
1-(2,3-dimethyl-6-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764483
2-(3-fluorophenyl)-1-(2-methyl-4-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764998

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride?
The IUPAC name of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride (CID 120764419) is 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride.
What is the SMILES notation for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride?
The canonical SMILES for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride is CN(C)c1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl.
What is the InChIKey of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride?
The InChIKey is OISWUGBJVCZKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S.ClH/c1-21(2)16-6-8-17(9-7-16)25(23,24)22-11-10-20-13-18(22)14-4-3-5-15(19)12-14;/h3-9,12,18,20H,10-11,13H2,1-2H3;1H.
What are the key properties of 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride?
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride is sourced from PubChem (CID 120764419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).