2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride

C14H21ClFN3O4S — CID 120983562

IUPAC2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C14H20FN3O4S.ClH/c1-22-10-13(16)14(19)17-6-8-18(9-7-17)23(20,21)12-4-2-11(15)3-5-12;/h2-5,13H,6-10,16H2,1H3;1H
InChIKeyHYLAWMUFXQHBSP-UHFFFAOYSA-N
MW381.86 g/mol
LogP0.05
Rot. Bonds5

About 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride

2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride (PubChem CID 120983562) has the molecular formula C14H21ClFN3O4S and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
PubChem CID120983562
Molecular FormulaC14H21ClFN3O4S
Molecular Weight381.86 g/mol
Exact Mass381.09
IUPAC Name2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C14H20FN3O4S.ClH/c1-22-10-13(16)14(19)17-6-8-18(9-7-17)23(20,21)12-4-2-11(15)3-5-12;/h2-5,13H,6-10,16H2,1H3;1H
InChIKeyHYLAWMUFXQHBSP-UHFFFAOYSA-N
XLogP0.05
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-amino-3-methoxypropan-1-one
CID 120983396
2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119274738
(2R)-2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119274736
2-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methylpentan-1-one
CID 119696007
(2S)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119678714
3-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678794
(2R)-2-(4-fluorophenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8933880
3-amino-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 119696008
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120988113
[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 9204321
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride (CID 120983562) is 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride is COCC(N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The InChIKey is HYLAWMUFXQHBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O4S.ClH/c1-22-10-13(16)14(19)17-6-8-18(9-7-17)23(20,21)12-4-2-11(15)3-5-12;/h2-5,13H,6-10,16H2,1H3;1H.
What are the key properties of 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride has a molecular weight of 381.86 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methoxypropan-1-one;hydrochloride is sourced from PubChem (CID 120983562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).