1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine

C16H14Cl3N3O4S — CID 3740167

IUPAC1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl3N3O4S/c17-12-5-4-11(10-14(12)19)27(25,26)21-8-6-20(7-9-21)16-13(18)2-1-3-15(16)22(23)24/h1-5,10H,6-9H2
InChIKeyRWYQNSBIMGUNFM-UHFFFAOYSA-N
MW450.73 g/mol
LogP4.07
Rot. Bonds4

About 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine

1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine (PubChem CID 3740167) has the molecular formula C16H14Cl3N3O4S and a molecular weight of 450.73 g/mol. Its IUPAC name is 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
PubChem CID3740167
Molecular FormulaC16H14Cl3N3O4S
Molecular Weight450.73 g/mol
Exact Mass448.98
IUPAC Name1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl3N3O4S/c17-12-5-4-11(10-14(12)19)27(25,26)21-8-6-20(7-9-21)16-13(18)2-1-3-15(16)22(23)24/h1-5,10H,6-9H2
InChIKeyRWYQNSBIMGUNFM-UHFFFAOYSA-N
XLogP4.07
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.73
LogP ≤ 54.07
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-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
CID 26451257
1-(3,4-dichlorophenyl)sulfonyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine
CID 2942744
1-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-phenylpiperazine
CID 4215812
1-(2-chloro-4-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 2931061
4-(2-chloro-6-nitrophenyl)-1,4-thiazinane 1-oxide
CID 163241609
4,4-dichloro-1-(2-chloro-6-nitrophenyl)piperidine
CID 137333212
(4-chloro-3-nitrophenyl)-[4-(2-chloro-6-nitrophenyl)piperazin-1-yl]methanone
CID 22778253
1-(3-chlorophenyl)sulfonyl-4-(3-nitropyridin-1-ium-2-yl)piperazine
CID 9111621
1-(2-chloro-6-nitrophenyl)-4,4-difluoropiperidine
CID 163241693
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine (CID 3740167) is 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine is O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
The InChIKey is RWYQNSBIMGUNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3O4S/c17-12-5-4-11(10-14(12)19)27(25,26)21-8-6-20(7-9-21)16-13(18)2-1-3-15(16)22(23)24/h1-5,10H,6-9H2.
What are the key properties of 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine?
1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine has a molecular weight of 450.73 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 3740167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).