3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine

C16H14ClF2NO4S2 — CID 90595225

IUPAC3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H14ClF2NO4S2/c17-12-1-3-15(4-2-12)26(23,24)16-8-20(9-16)25(21,22)10-11-5-13(18)7-14(19)6-11/h1-7,16H,8-10H2
InChIKeyACJLJQLLWYAWAZ-UHFFFAOYSA-N
MW421.87 g/mol
LogP2.61
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine

3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine (PubChem CID 90595225) has the molecular formula C16H14ClF2NO4S2 and a molecular weight of 421.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine
PubChem CID90595225
Molecular FormulaC16H14ClF2NO4S2
Molecular Weight421.87 g/mol
Exact Mass421.00
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H14ClF2NO4S2/c17-12-1-3-15(4-2-12)26(23,24)16-8-20(9-16)25(21,22)10-11-5-13(18)7-14(19)6-11/h1-7,16H,8-10H2
InChIKeyACJLJQLLWYAWAZ-UHFFFAOYSA-N
XLogP2.61
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.87
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]pyrrolidine
CID 90587931
1-[(2-chlorophenyl)methylsulfonyl]-3-(4-chlorophenyl)sulfonylazetidine
CID 90595184
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
3-(benzenesulfonyl)-1-[(3-fluorophenyl)methylsulfonyl]pyrrolidine
CID 71805609
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
CID 90595142
1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine (CID 90595225) is 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine is O=S(=O)(c1ccc(Cl)cc1)C1CN(S(=O)(=O)Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine?
The InChIKey is ACJLJQLLWYAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO4S2/c17-12-1-3-15(4-2-12)26(23,24)16-8-20(9-16)25(21,22)10-11-5-13(18)7-14(19)6-11/h1-7,16H,8-10H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine?
3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine has a molecular weight of 421.87 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-[(3,5-difluorophenyl)methylsulfonyl]azetidine is sourced from PubChem (CID 90595225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).