2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine

C16H21FN4O3S — CID 120764617

IUPAC2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine
SMILESCOCCn1cc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cn1
InChIInChI=1S/C16H21FN4O3S/c1-24-8-7-20-12-15(10-19-20)25(22,23)21-6-5-18-11-16(21)13-3-2-4-14(17)9-13/h2-4,9-10,12,16,18H,5-8,11H2,1H3
InChIKeyJHNPGPUSNMCWAT-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.00
Rot. Bonds6

About 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine

2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine (PubChem CID 120764617) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine
PubChem CID120764617
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC Name2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine
SMILESCOCCn1cc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cn1
InChIInChI=1S/C16H21FN4O3S/c1-24-8-7-20-12-15(10-19-20)25(22,23)21-6-5-18-11-16(21)13-3-2-4-14(17)9-13/h2-4,9-10,12,16,18H,5-8,11H2,1H3
InChIKeyJHNPGPUSNMCWAT-UHFFFAOYSA-N
XLogP1.00
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
CID 120765000
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120764946
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
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
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120764702
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)sulfonylpiperazine
CID 120764749
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine?
The IUPAC name of 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine (CID 120764617) is 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine is COCCn1cc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cn1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine?
The InChIKey is JHNPGPUSNMCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-24-8-7-20-12-15(10-19-20)25(22,23)21-6-5-18-11-16(21)13-3-2-4-14(17)9-13/h2-4,9-10,12,16,18H,5-8,11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine?
2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine has a molecular weight of 368.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonylpiperazine is sourced from PubChem (CID 120764617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).