1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine

C15H13BrFNO4S2 — CID 90593268

IUPAC1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H13BrFNO4S2/c16-11-1-5-14(6-2-11)24(21,22)18-9-15(10-18)23(19,20)13-7-3-12(17)4-8-13/h1-8,15H,9-10H2
InChIKeyUPCKSXRHYWBVSA-UHFFFAOYSA-N
MW434.31 g/mol
LogP2.43
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine

1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine (PubChem CID 90593268) has the molecular formula C15H13BrFNO4S2 and a molecular weight of 434.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
PubChem CID90593268
Molecular FormulaC15H13BrFNO4S2
Molecular Weight434.31 g/mol
Exact Mass432.95
IUPAC Name1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C15H13BrFNO4S2/c16-11-1-5-14(6-2-11)24(21,22)18-9-15(10-18)23(19,20)13-7-3-12(17)4-8-13/h1-8,15H,9-10H2
InChIKeyUPCKSXRHYWBVSA-UHFFFAOYSA-N
XLogP2.43
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine (CID 90593268) is 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine is O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The InChIKey is UPCKSXRHYWBVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO4S2/c16-11-1-5-14(6-2-11)24(21,22)18-9-15(10-18)23(19,20)13-7-3-12(17)4-8-13/h1-8,15H,9-10H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine has a molecular weight of 434.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine is sourced from PubChem (CID 90593268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).