1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine

C13H17FN2O2S — CID 120764492

IUPAC1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
SMILESO=S(=O)(C1CC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2S/c14-11-3-1-2-10(8-11)13-9-15-6-7-16(13)19(17,18)12-4-5-12/h1-3,8,12-13,15H,4-7,9H2
InChIKeyHWGZSVSVJHXERQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.26
Rot. Bonds3

About 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine

1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine (PubChem CID 120764492) has the molecular formula C13H17FN2O2S and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
PubChem CID120764492
Molecular FormulaC13H17FN2O2S
Molecular Weight284.36 g/mol
Exact Mass284.10
IUPAC Name1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
SMILESO=S(=O)(C1CC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2S/c14-11-3-1-2-10(8-11)13-9-15-6-7-16(13)19(17,18)12-4-5-12/h1-3,8,12-13,15H,4-7,9H2
InChIKeyHWGZSVSVJHXERQ-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
CID 120764648
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
1-cyclopropylsulfonyl-2-(4-ethylphenyl)piperazine;hydrochloride
CID 120765370
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
CID 120876763
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
2-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)piperazine-1-sulfonamide;hydrochloride
CID 120765000
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4,5-dimethyl-1,3-thiazole;hydrochloride
CID 120764447
3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-4-methylbenzonitrile
CID 120764745

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine?
The IUPAC name of 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine (CID 120764492) is 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine.
What is the SMILES notation for 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine?
The canonical SMILES for 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine is O=S(=O)(C1CC1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine?
The InChIKey is HWGZSVSVJHXERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2S/c14-11-3-1-2-10(8-11)13-9-15-6-7-16(13)19(17,18)12-4-5-12/h1-3,8,12-13,15H,4-7,9H2.
What are the key properties of 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine?
1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine has a molecular weight of 284.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine is sourced from PubChem (CID 120764492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).