(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol

C14H20F2N2O3S — CID 111487243

IUPAC(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H20F2N2O3S/c1-2-12(19)10-17-5-7-18(8-6-17)22(20,21)14-9-11(15)3-4-13(14)16/h3-4,9,12,19H,2,5-8,10H2,1H3/t12-/m1/s1
InChIKeyWKQLQOQVCXYYBM-GFCCVEGCSA-N
MW334.39 g/mol
LogP1.04
Rot. Bonds5

About (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol

(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol (PubChem CID 111487243) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
PubChem CID111487243
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC Name(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
SMILESCC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H20F2N2O3S/c1-2-12(19)10-17-5-7-18(8-6-17)22(20,21)14-9-11(15)3-4-13(14)16/h3-4,9,12,19H,2,5-8,10H2,1H3/t12-/m1/s1
InChIKeyWKQLQOQVCXYYBM-GFCCVEGCSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46615685
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
N-tert-butyl-2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843472
ethyl 2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetate
CID 52788016
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694
(2S)-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8797022
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8796871
1-(2,5-difluorophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 17461113
1-(2,5-difluorophenyl)sulfonyl-4-[(2,5-dimethylphenyl)methyl]piperazine
CID 8796966

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol (CID 111487243) is (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol is CC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol?
The InChIKey is WKQLQOQVCXYYBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-2-12(19)10-17-5-7-18(8-6-17)22(20,21)14-9-11(15)3-4-13(14)16/h3-4,9,12,19H,2,5-8,10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol?
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol has a molecular weight of 334.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol is sourced from PubChem (CID 111487243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).