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

C19H21BrF2N2O4S — CID 46615685

IUPAC1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(CC(O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrF2N2O4S/c20-14-1-4-17(5-2-14)28-13-16(25)12-23-7-9-24(10-8-23)29(26,27)19-11-15(21)3-6-18(19)22/h1-6,11,16,25H,7-10,12-13H2
InChIKeyVPDPOYHYHGZPJY-UHFFFAOYSA-N
MW491.35 g/mol
LogP2.47
Rot. Bonds7

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

1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 46615685) has the molecular formula C19H21BrF2N2O4S and a molecular weight of 491.35 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID46615685
Molecular FormulaC19H21BrF2N2O4S
Molecular Weight491.35 g/mol
Exact Mass490.04
IUPAC Name1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCN(CC(O)COc2ccc(Br)cc2)CC1
InChIInChI=1S/C19H21BrF2N2O4S/c20-14-1-4-17(5-2-14)28-13-16(25)12-23-7-9-24(10-8-23)29(26,27)19-11-15(21)3-6-18(19)22/h1-6,11,16,25H,7-10,12-13H2
InChIKeyVPDPOYHYHGZPJY-UHFFFAOYSA-N
XLogP2.47
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243
1-(4-bromophenoxy)-3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46557327
(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 6359094
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
1-(4-chlorophenoxy)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 42909793
1-(4-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53352692
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
1-(4-bromophenoxy)-3-(2,5-difluoroanilino)propan-2-ol
CID 60898264
(2S)-1-(3-bromophenoxy)-3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 2114419
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 46615685) is 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is O=S(=O)(c1cc(F)ccc1F)N1CCN(CC(O)COc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is VPDPOYHYHGZPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrF2N2O4S/c20-14-1-4-17(5-2-14)28-13-16(25)12-23-7-9-24(10-8-23)29(26,27)19-11-15(21)3-6-18(19)22/h1-6,11,16,25H,7-10,12-13H2.
What are the key properties of 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 491.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 46615685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).