(2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide

C13H17F2N3O3S — CID 9023346

IUPAC(2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H17F2N3O3S/c1-9(13(16)19)17-5-7-18(8-6-17)22(20,21)12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChIKeyVTSUIEQLEGEQQO-VIFPVBQESA-N
MW333.36 g/mol
LogP0.14
Rot. Bonds4

About (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide

(2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 9023346) has the molecular formula C13H17F2N3O3S and a molecular weight of 333.36 g/mol. Its IUPAC name is (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID9023346
Molecular FormulaC13H17F2N3O3S
Molecular Weight333.36 g/mol
Exact Mass333.10
IUPAC Name(2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C13H17F2N3O3S/c1-9(13(16)19)17-5-7-18(8-6-17)22(20,21)12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H2,16,19)/t9-/m0/s1
InChIKeyVTSUIEQLEGEQQO-VIFPVBQESA-N
XLogP0.14
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide 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

2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 46561134
(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9398785
N-(5-chloro-2-methylphenyl)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55430844
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750534
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
(2R)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8517140
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-yn-1-one
CID 154704989
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 38079687
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethanone
CID 8921553
(2R)-2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9442944
(2S)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]propanamide
CID 8748577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 9023346) is (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide is C[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is VTSUIEQLEGEQQO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17F2N3O3S/c1-9(13(16)19)17-5-7-18(8-6-17)22(20,21)12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H2,16,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
(2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 333.36 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 9023346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).