1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol

C20H25FN2O4S — CID 4797497

IUPAC1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C20H25FN2O4S/c21-18-6-8-20(9-7-18)28(25,26)23-12-10-22(11-13-23)14-19(24)16-27-15-17-4-2-1-3-5-17/h1-9,19,24H,10-16H2
InChIKeyAPQIFDCVNBIXJC-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.71
Rot. Bonds8

About 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 4797497) has the molecular formula C20H25FN2O4S and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID4797497
Molecular FormulaC20H25FN2O4S
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Name1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C20H25FN2O4S/c21-18-6-8-20(9-7-18)28(25,26)23-12-10-22(11-13-23)14-19(24)16-27-15-17-4-2-1-3-5-17/h1-9,19,24H,10-16H2
InChIKeyAPQIFDCVNBIXJC-UHFFFAOYSA-N
XLogP1.71
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol (CID 4797497) is 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol is O=S(=O)(c1ccc(F)cc1)N1CCN(CC(O)COCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is APQIFDCVNBIXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O4S/c21-18-6-8-20(9-7-18)28(25,26)23-12-10-22(11-13-23)14-19(24)16-27-15-17-4-2-1-3-5-17/h1-9,19,24H,10-16H2.
What are the key properties of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol?
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 408.50 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 4797497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).