1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine

C16H15Cl2N3O4S — CID 2855419

IUPAC1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O4S/c17-12-1-4-14(5-2-12)26(24,25)20-9-7-19(8-10-20)16-6-3-13(21(22)23)11-15(16)18/h1-6,11H,7-10H2
InChIKeyYXKWCSGGAWMBQE-UHFFFAOYSA-N
MW416.29 g/mol
LogP3.41
Rot. Bonds4

About 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine

1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 2855419) has the molecular formula C16H15Cl2N3O4S and a molecular weight of 416.29 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
PubChem CID2855419
Molecular FormulaC16H15Cl2N3O4S
Molecular Weight416.29 g/mol
Exact Mass415.02
IUPAC Name1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O4S/c17-12-1-4-14(5-2-12)26(24,25)20-9-7-19(8-10-20)16-6-3-13(21(22)23)11-15(16)18/h1-6,11H,7-10H2
InChIKeyYXKWCSGGAWMBQE-UHFFFAOYSA-N
XLogP3.41
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine 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-(2-chloro-4-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 2931061
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451
1-(2-chloro-4-nitrophenyl)-4-methylsulfonylpiperazine
CID 2855626
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile
CID 9111616
2-[4-(benzenesulfonyl)piperazin-1-yl]-5-nitrobenzonitrile
CID 4314377
2-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 9184042
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzonitrile
CID 7922926
1-(2-chloro-4-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 7968443
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-3-nitroaniline
CID 2920162
1-(4-chloro-2-nitrophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 9111502
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(2-fluoro-4-nitrophenyl)piperazine
CID 3482251

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine (CID 2855419) is 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine is O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is YXKWCSGGAWMBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4S/c17-12-1-4-14(5-2-12)26(24,25)20-9-7-19(8-10-20)16-6-3-13(21(22)23)11-15(16)18/h1-6,11H,7-10H2.
What are the key properties of 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine has a molecular weight of 416.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2855419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).