1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol

C14H20F2N2O3S — CID 126770684

IUPAC1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C14H20F2N2O3S/c1-14(2,19)10-17-3-5-18(6-4-17)22(20,21)13-8-11(15)7-12(16)9-13/h7-9,19H,3-6,10H2,1-2H3
InChIKeyIIIZXFLAUOVNKW-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.04
Rot. Bonds4

About 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol

1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 126770684) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
PubChem CID126770684
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC Name1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C14H20F2N2O3S/c1-14(2,19)10-17-3-5-18(6-4-17)22(20,21)13-8-11(15)7-12(16)9-13/h7-9,19H,3-6,10H2,1-2H3
InChIKeyIIIZXFLAUOVNKW-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

2-methyl-1-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]propan-2-ol
CID 63631193
1-[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 63237331
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
1-[4-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol
CID 103100214
(1R)-1-cyclopropyl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 97039300
N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46572180
4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
CID 121187243
1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
CID 150339337
1-[4-(3-fluoro-5-hydroxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 154866656
1-(3,5-difluorophenyl)sulfonyl-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094992
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
2-(4-fluorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63239769

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol (CID 126770684) is 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is IIIZXFLAUOVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-14(2,19)10-17-3-5-18(6-4-17)22(20,21)13-8-11(15)7-12(16)9-13/h7-9,19H,3-6,10H2,1-2H3.
What are the key properties of 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol?
1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 334.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 126770684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).