2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole

C18H20FN3O2S — CID 142592131

IUPAC2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
SMILESO=S(=O)(c1ccccc1F)N1Cc2cccc(N3CCNCC3)c2C1
InChIInChI=1S/C18H20FN3O2S/c19-16-5-1-2-7-18(16)25(23,24)22-12-14-4-3-6-17(15(14)13-22)21-10-8-20-9-11-21/h1-7,20H,8-13H2
InChIKeyUZFYJPAXAUCAPB-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole

2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole (PubChem CID 142592131) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
PubChem CID142592131
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
SMILESO=S(=O)(c1ccccc1F)N1Cc2cccc(N3CCNCC3)c2C1
InChIInChI=1S/C18H20FN3O2S/c19-16-5-1-2-7-18(16)25(23,24)22-12-14-4-3-6-17(15(14)13-22)21-10-8-20-9-11-21/h1-7,20H,8-13H2
InChIKeyUZFYJPAXAUCAPB-UHFFFAOYSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole
CID 142592122
4-(2-fluorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine;dihydrochloride
CID 90488993
2-(3-chlorophenyl)sulfonyl-5-piperazin-1-yl-3,4-dihydro-1H-isoquinoline
CID 10385820
4-(2-fluorophenyl)sulfonyl-2-methyl-8-piperazin-1-ylquinoline
CID 10126494
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
1-[(2-fluorophenyl)methyl]-3-methyl-5-piperazin-1-yl-4H-quinazolin-2-one;hydrochloride
CID 18444442
1-cyclopentyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 45369149
2-[(4-methylphenyl)methyl]-4-piperazin-1-yl-1,3-dihydroisoindole
CID 94778572
(3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2085476
1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 3907565
4-(4-methylpiperazin-1-yl)-2-pyridin-3-ylsulfonyl-1,3-dihydroisoindole
CID 142592094

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole (CID 142592131) is 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole is O=S(=O)(c1ccccc1F)N1Cc2cccc(N3CCNCC3)c2C1.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole?
The InChIKey is UZFYJPAXAUCAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c19-16-5-1-2-7-18(16)25(23,24)22-12-14-4-3-6-17(15(14)13-22)21-10-8-20-9-11-21/h1-7,20H,8-13H2.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole?
2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole has a molecular weight of 361.44 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-4-piperazin-1-yl-1,3-dihydroisoindole is sourced from PubChem (CID 142592131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).