(2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone

C20H23FN2O3S — CID 110365284

IUPAC(2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(S(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C20H23FN2O3S/c21-19-11-5-4-10-18(19)20(24)22-12-14-23(15-13-22)27(25,26)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2
InChIKeyHMJIOENPSRINJC-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.55
Rot. Bonds6

About (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone (PubChem CID 110365284) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
PubChem CID110365284
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name(2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(S(=O)(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C20H23FN2O3S/c21-19-11-5-4-10-18(19)20(24)22-12-14-23(15-13-22)27(25,26)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2
InChIKeyHMJIOENPSRINJC-UHFFFAOYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone
CID 110365415
(4-butylsulfonyl-1,4-diazepan-1-yl)-(2-fluorophenyl)methanone
CID 110798349
[4-(3-phenylpropylsulfonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110364704
1-ethylsulfonyl-4-(3-phenylpropylsulfonyl)piperazine
CID 110819016
[4-(cyclopropylmethylsulfonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 71864041
2-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397252
1-benzyl-4-(3-phenylpropylsulfonyl)piperazine
CID 113073931
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 51151956
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
(4-butylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
CID 108569232
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-phenylpropylsulfonyl)piperidin-3-yl]methanone
CID 43910492

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone (CID 110365284) is (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(S(=O)(=O)CCCc2ccccc2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone?
The InChIKey is HMJIOENPSRINJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-19-11-5-4-10-18(19)20(24)22-12-14-23(15-13-22)27(25,26)16-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11H,6,9,12-16H2.
What are the key properties of (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110365284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).