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

C16H15Cl2N3O4S — CID 2885451

IUPAC1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H15Cl2N3O4S/c17-12-1-4-14(5-2-12)26(24,25)20-9-7-19(8-10-20)15-6-3-13(18)11-16(15)21(22)23/h1-6,11H,7-10H2
InChIKeyXELXCQGCJBZDBR-UHFFFAOYSA-N
MW416.29 g/mol
LogP3.41
Rot. Bonds4

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

1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine (PubChem CID 2885451) has the molecular formula C16H15Cl2N3O4S and a molecular weight of 416.29 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
PubChem CID2885451
Molecular FormulaC16H15Cl2N3O4S
Molecular Weight416.29 g/mol
Exact Mass415.02
IUPAC Name1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H15Cl2N3O4S/c17-12-1-4-14(5-2-12)26(24,25)20-9-7-19(8-10-20)15-6-3-13(18)11-16(15)21(22)23/h1-6,11H,7-10H2
InChIKeyXELXCQGCJBZDBR-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-nitrophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 9111502
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethyl-3-nitroaniline
CID 2920162
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2855419
1,4-bis(4-chloro-2-nitrophenyl)-1,4-diazepane
CID 3094079
1-(4-chloro-2-nitrophenyl)-4-methylsulfonyl-1,4-diazepane
CID 134038762
1-[5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]azepane
CID 2978610
1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 26451257
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
1-(4-methylphenyl)sulfonyl-4-(4-methylsulfonyl-2-nitrophenyl)piperazine
CID 18267203
1-(4-chloro-2-nitrophenyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 26943113
1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine (CID 2885451) is 1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine is O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
The InChIKey is XELXCQGCJBZDBR-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)15-6-3-13(18)11-16(15)21(22)23/h1-6,11H,7-10H2.
What are the key properties of 1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine?
1-(4-chloro-2-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-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 2885451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).