1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine

C17H18ClNO5S2 — CID 90593644

IUPAC1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3C)C2)cc1
InChIInChI=1S/C17H18ClNO5S2/c1-12-3-4-13(18)9-17(12)26(22,23)19-10-16(11-19)25(20,21)15-7-5-14(24-2)6-8-15/h3-9,16H,10-11H2,1-2H3
InChIKeyVGGVSESTSLYFHG-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.50
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine

1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (PubChem CID 90593644) has the molecular formula C17H18ClNO5S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
PubChem CID90593644
Molecular FormulaC17H18ClNO5S2
Molecular Weight415.92 g/mol
Exact Mass415.03
IUPAC Name1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3C)C2)cc1
InChIInChI=1S/C17H18ClNO5S2/c1-12-3-4-13(18)9-17(12)26(22,23)19-10-16(11-19)25(20,21)15-7-5-14(24-2)6-8-15/h3-9,16H,10-11H2,1-2H3
InChIKeyVGGVSESTSLYFHG-UHFFFAOYSA-N
XLogP2.50
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576451
3-(4-methoxyphenyl)sulfonyl-1-propylsulfonylazetidine
CID 90593675
5-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]sulfonyl-1H-imidazole
CID 90593680

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (CID 90593644) is 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3C)C2)cc1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The InChIKey is VGGVSESTSLYFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S2/c1-12-3-4-13(18)9-17(12)26(22,23)19-10-16(11-19)25(20,21)15-7-5-14(24-2)6-8-15/h3-9,16H,10-11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine has a molecular weight of 415.92 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is sourced from PubChem (CID 90593644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).