1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine

C17H18ClFN2O4S2 — CID 39622444

IUPAC1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1F
InChIInChI=1S/C17H18ClFN2O4S2/c1-13-6-7-14(12-16(13)19)26(22,23)20-8-10-21(11-9-20)27(24,25)17-5-3-2-4-15(17)18/h2-7,12H,8-11H2,1H3
InChIKeyBNKVBIBLBGPTMD-UHFFFAOYSA-N
MW432.93 g/mol
LogP2.48
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine

1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine (PubChem CID 39622444) has the molecular formula C17H18ClFN2O4S2 and a molecular weight of 432.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine
PubChem CID39622444
Molecular FormulaC17H18ClFN2O4S2
Molecular Weight432.93 g/mol
Exact Mass432.04
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1F
InChIInChI=1S/C17H18ClFN2O4S2/c1-13-6-7-14(12-16(13)19)26(22,23)20-8-10-21(11-9-20)27(24,25)17-5-3-2-4-15(17)18/h2-7,12H,8-11H2,1H3
InChIKeyBNKVBIBLBGPTMD-UHFFFAOYSA-N
XLogP2.48
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine (CID 39622444) is 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1F.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine?
The InChIKey is BNKVBIBLBGPTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O4S2/c1-13-6-7-14(12-16(13)19)26(22,23)20-8-10-21(11-9-20)27(24,25)17-5-3-2-4-15(17)18/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine?
1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine has a molecular weight of 432.93 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-(3-fluoro-4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 39622444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).