1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride

C16H25ClFN3O2S — CID 120764648

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
SMILESCl.O=S(=O)(N1CCCCCC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H24FN3O2S.ClH/c17-15-7-5-6-14(12-15)16-13-18-8-11-20(16)23(21,22)19-9-3-1-2-4-10-19;/h5-7,12,16,18H,1-4,8-11,13H2;1H
InChIKeyXIPYZMSXFXJHFI-UHFFFAOYSA-N
MW377.91 g/mol
LogP2.31
Rot. Bonds3

About 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride

1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride (PubChem CID 120764648) has the molecular formula C16H25ClFN3O2S and a molecular weight of 377.91 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
PubChem CID120764648
Molecular FormulaC16H25ClFN3O2S
Molecular Weight377.91 g/mol
Exact Mass377.13
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride
SMILESCl.O=S(=O)(N1CCCCCC1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H24FN3O2S.ClH/c17-15-7-5-6-14(12-15)16-13-18-8-11-20(16)23(21,22)19-9-3-1-2-4-10-19;/h5-7,12,16,18H,1-4,8-11,13H2;1H
InChIKeyXIPYZMSXFXJHFI-UHFFFAOYSA-N
XLogP2.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.91
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropylsulfonyl-2-(3-fluorophenyl)piperazine
CID 120764492
1-piperidin-1-ylsulfonyl-2-pyridin-3-ylpiperazine
CID 120763826
2-(3-fluorophenyl)-1-(2-methoxyethylsulfonyl)piperazine;hydrochloride
CID 120764950
2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
CID 120876763
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
2-(3-fluorophenyl)-1-(2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 120764840
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
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120764702
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120764720

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride (CID 120764648) is 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride is Cl.O=S(=O)(N1CCCCCC1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride?
The InChIKey is XIPYZMSXFXJHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2S.ClH/c17-15-7-5-6-14(12-15)16-13-18-8-11-20(16)23(21,22)19-9-3-1-2-4-10-19;/h5-7,12,16,18H,1-4,8-11,13H2;1H.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride?
1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride has a molecular weight of 377.91 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylazepane;hydrochloride is sourced from PubChem (CID 120764648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).