1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine

C15H14Cl2FN3O2S — CID 110295034

IUPAC1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H14Cl2FN3O2S/c16-14-9-13(10-19-15(14)17)24(22,23)21-7-5-20(6-8-21)12-3-1-11(18)2-4-12/h1-4,9-10H,5-8H2
InChIKeyNJHHSJWOITVQAH-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.04
Rot. Bonds3

About 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine

1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine (PubChem CID 110295034) has the molecular formula C15H14Cl2FN3O2S and a molecular weight of 390.27 g/mol. Its IUPAC name is 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
PubChem CID110295034
Molecular FormulaC15H14Cl2FN3O2S
Molecular Weight390.27 g/mol
Exact Mass389.02
IUPAC Name1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H14Cl2FN3O2S/c16-14-9-13(10-19-15(14)17)24(22,23)21-7-5-20(6-8-21)12-3-1-11(18)2-4-12/h1-4,9-10H,5-8H2
InChIKeyNJHHSJWOITVQAH-UHFFFAOYSA-N
XLogP3.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)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

1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 110295033
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]azepane
CID 4730925
1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-4-phenylpiperazine
CID 11952187
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-(2,4-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280565
(5,6-dichloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46798589
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133358370
1-(4-chlorophenyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 60915587

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine (CID 110295034) is 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine is O=S(=O)(c1cnc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is NJHHSJWOITVQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FN3O2S/c16-14-9-13(10-19-15(14)17)24(22,23)21-7-5-20(6-8-21)12-3-1-11(18)2-4-12/h1-4,9-10H,5-8H2.
What are the key properties of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine?
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 390.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 110295034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).