1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine

C15H12Cl2FNO4S2 — CID 90593256

IUPAC1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H12Cl2FNO4S2/c16-13-2-1-3-14(17)15(13)25(22,23)19-8-12(9-19)24(20,21)11-6-4-10(18)5-7-11/h1-7,12H,8-9H2
InChIKeyBBXOPJBFSYBQET-UHFFFAOYSA-N
MW424.30 g/mol
LogP2.98
Rot. Bonds4

About 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine

1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine (PubChem CID 90593256) has the molecular formula C15H12Cl2FNO4S2 and a molecular weight of 424.30 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
PubChem CID90593256
Molecular FormulaC15H12Cl2FNO4S2
Molecular Weight424.30 g/mol
Exact Mass422.96
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H12Cl2FNO4S2/c16-13-2-1-3-14(17)15(13)25(22,23)19-8-12(9-19)24(20,21)11-6-4-10(18)5-7-11/h1-7,12H,8-9H2
InChIKeyBBXOPJBFSYBQET-UHFFFAOYSA-N
XLogP2.98
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine
CID 90593214
(3R)-1-(2-chlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylpiperidine
CID 99903355
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
1-(2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63874253
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
CID 90593215
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 35934098
1-(2,6-dichlorophenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26947080

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine (CID 90593256) is 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine is O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
The InChIKey is BBXOPJBFSYBQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO4S2/c16-13-2-1-3-14(17)15(13)25(22,23)19-8-12(9-19)24(20,21)11-6-4-10(18)5-7-11/h1-7,12H,8-9H2.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine?
1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine has a molecular weight of 424.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine is sourced from PubChem (CID 90593256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).