1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine

C16H14Cl2FN3O4S — CID 26451257

IUPAC1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2FN3O4S/c17-13-3-2-12(10-14(13)18)27(25,26)21-7-5-20(6-8-21)15-4-1-11(19)9-16(15)22(23)24/h1-4,9-10H,5-8H2
InChIKeyDHQHWWPAIFEREE-UHFFFAOYSA-N
MW434.28 g/mol
LogP3.55
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine

1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine (PubChem CID 26451257) has the molecular formula C16H14Cl2FN3O4S and a molecular weight of 434.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
PubChem CID26451257
Molecular FormulaC16H14Cl2FN3O4S
Molecular Weight434.28 g/mol
Exact Mass433.01
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H14Cl2FN3O4S/c17-13-3-2-12(10-14(13)18)27(25,26)21-7-5-20(6-8-21)15-4-1-11(19)9-16(15)22(23)24/h1-4,9-10H,5-8H2
InChIKeyDHQHWWPAIFEREE-UHFFFAOYSA-N
XLogP3.55
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 53.55
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-fluoro-2-nitrophenyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 26451032
1-(4-fluoro-2-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 26451318
1-(2-chloro-4-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 2931061
1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451
1-(4-fluoro-2-nitrophenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 9111606
1-(4-fluorophenyl)sulfonyl-4-(4-methoxy-2-nitrophenyl)piperazine
CID 2981141
1-(3,4-dichlorophenyl)sulfonyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazine
CID 2942744
1-(2-chloro-6-nitrophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3740167
1-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-4-phenylpiperazine
CID 4215812
1-(2,5-difluorophenyl)sulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 27817251
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)piperazine
CID 113079298

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine (CID 26451257) is 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine is O=[N+]([O-])c1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine?
The InChIKey is DHQHWWPAIFEREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3O4S/c17-13-3-2-12(10-14(13)18)27(25,26)21-7-5-20(6-8-21)15-4-1-11(19)9-16(15)22(23)24/h1-4,9-10H,5-8H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine?
1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine has a molecular weight of 434.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-4-(4-fluoro-2-nitrophenyl)piperazine is sourced from PubChem (CID 26451257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).