[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone

C17H16ClFN2O3S — CID 9239681

IUPAC[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H16ClFN2O3S/c18-15-3-1-2-4-16(15)25(23,24)21-11-9-20(10-12-21)17(22)13-5-7-14(19)8-6-13/h1-8H,9-12H2
InChIKeyZBEIKUDZPMGZOT-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.63
Rot. Bonds3

About [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 9239681) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID9239681
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C17H16ClFN2O3S/c18-15-3-1-2-4-16(15)25(23,24)21-11-9-20(10-12-21)17(22)13-5-7-14(19)8-6-13/h1-8H,9-12H2
InChIKeyZBEIKUDZPMGZOT-UHFFFAOYSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone 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-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822354
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26757204
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 55757296
1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
CID 31199964
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 26756892
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
2-[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 24679940
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 55507539
4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone chloride
CID 53350574

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone (CID 9239681) is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ZBEIKUDZPMGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-15-3-1-2-4-16(15)25(23,24)21-11-9-20(10-12-21)17(22)13-5-7-14(19)8-6-13/h1-8H,9-12H2.
What are the key properties of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 382.84 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 9239681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).