(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

C13H19FN3O3S+ — CID 8749217

IUPAC(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H18FN3O3S/c1-10(13(15)18)16-6-8-17(9-7-16)21(19,20)12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3,(H2,15,18)/p+1/t10-/m1/s1
InChIKeyPVBHCMVDGWZJSV-SNVBAGLBSA-O
MW316.38 g/mol
LogP-1.41
Rot. Bonds4

About (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide (PubChem CID 8749217) has the molecular formula C13H19FN3O3S+ and a molecular weight of 316.38 g/mol. Its IUPAC name is (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
PubChem CID8749217
Molecular FormulaC13H19FN3O3S+
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Name(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C13H18FN3O3S/c1-10(13(15)18)16-6-8-17(9-7-16)21(19,20)12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3,(H2,15,18)/p+1/t10-/m1/s1
InChIKeyPVBHCMVDGWZJSV-SNVBAGLBSA-O
XLogP-1.41
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8553928
(2S)-1-(azepan-1-yl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one
CID 9493522
(2R)-N-cyclopentyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8512706
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8748349
(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8747111
(2S)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide
CID 8690036
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide
CID 8512698
(2S)-N-cyclohexyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide
CID 8512708
(2S)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 2526338
(2S)-N-(cyclohexylmethyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 7885810
(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8730579
(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9025380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide (CID 8749217) is (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide is C[C@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The InChIKey is PVBHCMVDGWZJSV-SNVBAGLBSA-O. The full InChI is InChI=1S/C13H18FN3O3S/c1-10(13(15)18)16-6-8-17(9-7-16)21(19,20)12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3,(H2,15,18)/p+1/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide has a molecular weight of 316.38 g/mol, XLogP of -1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 8749217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).