1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine

C16H15Cl2N3O4S — CID 2852663

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C16H15Cl2N3O4S/c17-12-1-6-15(18)16(11-12)26(24,25)20-9-7-19(8-10-20)13-2-4-14(5-3-13)21(22)23/h1-6,11H,7-10H2
InChIKeyJJGZUIQANDKONY-UHFFFAOYSA-N
MW416.29 g/mol
LogP3.41
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine

1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine (PubChem CID 2852663) has the molecular formula C16H15Cl2N3O4S and a molecular weight of 416.29 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
PubChem CID2852663
Molecular FormulaC16H15Cl2N3O4S
Molecular Weight416.29 g/mol
Exact Mass415.02
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C16H15Cl2N3O4S/c17-12-1-6-15(18)16(11-12)26(24,25)20-9-7-19(8-10-20)13-2-4-14(5-3-13)21(22)23/h1-6,11H,7-10H2
InChIKeyJJGZUIQANDKONY-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'}

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Related Compounds

1-(Benzenesulfonyl)-4-(4-nitrophenyl)piperazine
CID 3113458
1-(3-Chlorophenyl)-4-(2,5-dichlorobenzene-1-sulfonyl)piperazine
CID 386370
Piperazine, 1-(3,4-dichlorophenyl)-4-((2,5-dichlorophenyl)sulfonyl)-
CID 386371
1-(3-Chlorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1019725
1-(4-Chlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 2834841
3,5-dichloro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 8234864
1-(4-Chlorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1008899
1-(3,4-Dichlorophenyl)sulfonyl-4-(2-nitrophenyl)piperazine
CID 2931434
1-(4-Chlorophenyl)-4-(2-nitrophenyl)sulfonylpiperazine
CID 1011195
1-(2-Chloro-4-nitrophenyl)-4-(phenylsulfonyl)piperazine
CID 2854812
1-(4-Chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451
1-(Benzenesulfonyl)-4-(2-chloro-4-nitrophenyl)-2-methylpiperazine
CID 2890160

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine (CID 2852663) is 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine is O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine?
The InChIKey is JJGZUIQANDKONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4S/c17-12-1-6-15(18)16(11-12)26(24,25)20-9-7-19(8-10-20)13-2-4-14(5-3-13)21(22)23/h1-6,11H,7-10H2.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine?
1-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine 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-(2,5-dichlorophenyl)sulfonyl-4-(4-nitrophenyl)piperazine is sourced from PubChem (CID 2852663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).