1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine

C18H19FN2O5S — CID 154873219

IUPAC1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine
SMILESO=C(c1ccccc1O)N1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1
InChIInChI=1S/C18H19FN2O5S/c19-27(24,25)26-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2
InChIKeyGAPDAYDPFPZHFT-UHFFFAOYSA-N
MW394.42 g/mol
LogP1.94
Rot. Bonds5

About 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine

1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine (PubChem CID 154873219) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine.

Molecular Properties

Compound Name1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine
PubChem CID154873219
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine
SMILESO=C(c1ccccc1O)N1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1
InChIInChI=1S/C18H19FN2O5S/c19-27(24,25)26-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2
InChIKeyGAPDAYDPFPZHFT-UHFFFAOYSA-N
XLogP1.94
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine 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

[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 2878210
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71940503
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
4-[2-[4-[(4-fluorosulfonyloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,4-oxazepane
CID 167982941
(4-benzyl-1,4-diazepan-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 30469431
(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122464
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108534002
(2-methylsulfonylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 31314923
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
2-[(4-fluorosulfonyloxyphenyl)methyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline
CID 154873216
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine?
The IUPAC name of 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine (CID 154873219) is 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine.
What is the SMILES notation for 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine?
The canonical SMILES for 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine is O=C(c1ccccc1O)N1CCN(Cc2ccc(OS(=O)(=O)F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine?
The InChIKey is GAPDAYDPFPZHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c19-27(24,25)26-15-7-5-14(6-8-15)13-20-9-11-21(12-10-20)18(23)16-3-1-2-4-17(16)22/h1-8,22H,9-13H2.
What are the key properties of 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine?
1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine has a molecular weight of 394.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorosulfonyloxyphenyl)methyl]-4-(2-hydroxybenzoyl)piperazine is sourced from PubChem (CID 154873219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).