3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine

C19H22FNO4S2 — CID 90593214

IUPAC3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C19H22FNO4S2/c1-12-9-13(2)15(4)19(14(12)3)27(24,25)21-10-18(11-21)26(22,23)17-7-5-16(20)6-8-17/h5-9,18H,10-11H2,1-4H3
InChIKeySNJYUVMJESPOCY-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.91
Rot. Bonds4

About 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine

3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine (PubChem CID 90593214) has the molecular formula C19H22FNO4S2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine
PubChem CID90593214
Molecular FormulaC19H22FNO4S2
Molecular Weight411.52 g/mol
Exact Mass411.10
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C19H22FNO4S2/c1-12-9-13(2)15(4)19(14(12)3)27(24,25)21-10-18(11-21)26(22,23)17-7-5-16(20)6-8-17/h5-9,18H,10-11H2,1-4H3
InChIKeySNJYUVMJESPOCY-UHFFFAOYSA-N
XLogP2.91
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593256
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593218
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
CID 90593215
5-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 90593251
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
1-(3,4-dimethylphenyl)sulfonyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 19684793
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine (CID 90593214) is 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine is Cc1cc(C)c(C)c(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)c1C.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine?
The InChIKey is SNJYUVMJESPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S2/c1-12-9-13(2)15(4)19(14(12)3)27(24,25)21-10-18(11-21)26(22,23)17-7-5-16(20)6-8-17/h5-9,18H,10-11H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine?
3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine has a molecular weight of 411.52 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine is sourced from PubChem (CID 90593214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).