1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C18H23FN2O4S2 — CID 2998945

IUPAC1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CC(O)COCc2cccs2)CC1
InChIInChI=1S/C18H23FN2O4S2/c19-15-3-5-18(6-4-15)27(23,24)21-9-7-20(8-10-21)12-16(22)13-25-14-17-2-1-11-26-17/h1-6,11,16,22H,7-10,12-14H2
InChIKeyISOGSTJNAINYJJ-UHFFFAOYSA-N
MW414.52 g/mol
LogP1.77
Rot. Bonds8

About 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 2998945) has the molecular formula C18H23FN2O4S2 and a molecular weight of 414.52 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID2998945
Molecular FormulaC18H23FN2O4S2
Molecular Weight414.52 g/mol
Exact Mass414.11
IUPAC Name1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCN(CC(O)COCc2cccs2)CC1
InChIInChI=1S/C18H23FN2O4S2/c19-15-3-5-18(6-4-15)27(23,24)21-9-7-20(8-10-21)12-16(22)13-25-14-17-2-1-11-26-17/h1-6,11,16,22H,7-10,12-14H2
InChIKeyISOGSTJNAINYJJ-UHFFFAOYSA-N
XLogP1.77
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 78782687
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110908448
1-(furan-2-ylmethoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 47005306
4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
CID 110877541
1-(2-chlorophenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol
CID 112799354
1-[(4-chlorophenyl)methoxy]-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 18081696
(2R)-1-(3-bromophenoxy)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 6359094
1-[(2-fluorophenyl)methoxy]-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 55346214
1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 2998945) is 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is O=S(=O)(c1ccc(F)cc1)N1CCN(CC(O)COCc2cccs2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is ISOGSTJNAINYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4S2/c19-15-3-5-18(6-4-15)27(23,24)21-9-7-20(8-10-21)12-16(22)13-25-14-17-2-1-11-26-17/h1-6,11,16,22H,7-10,12-14H2.
What are the key properties of 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 414.52 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 2998945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).