(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

C19H22BrFN2O4S — CID 6359094

IUPAC(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1
InChIInChI=1S/C19H22BrFN2O4S/c20-15-2-1-3-18(12-15)27-14-17(24)13-22-8-10-23(11-9-22)28(25,26)19-6-4-16(21)5-7-19/h1-7,12,17,24H,8-11,13-14H2/t17-/m1/s1
InChIKeyOPHVPGDGVAQRRG-QGZVFWFLSA-N
MW473.36 g/mol
LogP2.33
Rot. Bonds7

About (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 6359094) has the molecular formula C19H22BrFN2O4S and a molecular weight of 473.36 g/mol. Its IUPAC name is (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID6359094
Molecular FormulaC19H22BrFN2O4S
Molecular Weight473.36 g/mol
Exact Mass472.05
IUPAC Name(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1
InChIInChI=1S/C19H22BrFN2O4S/c20-15-2-1-3-18(12-15)27-14-17(24)13-22-8-10-23(11-9-22)28(25,26)19-6-4-16(21)5-7-19/h1-7,12,17,24H,8-11,13-14H2/t17-/m1/s1
InChIKeyOPHVPGDGVAQRRG-QGZVFWFLSA-N
XLogP2.33
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol 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

(2S)-1-(3-bromophenoxy)-3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 2114419
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol
CID 2962063
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 2440202
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78782687
1-(2-chlorophenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol
CID 112799354
1-(4-bromophenoxy)-3-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46615685
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
CID 2999407
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol
CID 1094983
1-[3-[3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 4282416
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2998945
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 46515456

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 6359094) is (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is O=S(=O)(c1ccc(F)cc1)N1CCN(C[C@@H](O)COc2cccc(Br)c2)CC1.
What is the InChIKey of (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is OPHVPGDGVAQRRG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22BrFN2O4S/c20-15-2-1-3-18(12-15)27-14-17(24)13-22-8-10-23(11-9-22)28(25,26)19-6-4-16(21)5-7-19/h1-7,12,17,24H,8-11,13-14H2/t17-/m1/s1.
What are the key properties of (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol?
(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 473.36 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 6359094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).