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

C17H18ClNO6S2 — CID 72718927

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1
InChIInChI=1S/C17H18ClNO6S2/c1-24-13-4-6-14(7-5-13)26(20,21)15-10-19(11-15)27(22,23)17-9-12(18)3-8-16(17)25-2/h3-9,15H,10-11H2,1-2H3
InChIKeyPSQQIUFNWRJXSP-UHFFFAOYSA-N
MW431.92 g/mol
LogP2.20
Rot. Bonds6

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

1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (PubChem CID 72718927) has the molecular formula C17H18ClNO6S2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
PubChem CID72718927
Molecular FormulaC17H18ClNO6S2
Molecular Weight431.92 g/mol
Exact Mass431.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
SMILESCOc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1
InChIInChI=1S/C17H18ClNO6S2/c1-24-13-4-6-14(7-5-13)26(20,21)15-10-19(11-15)27(22,23)17-9-12(18)3-8-16(17)25-2/h3-9,15H,10-11H2,1-2H3
InChIKeyPSQQIUFNWRJXSP-UHFFFAOYSA-N
XLogP2.20
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90595191
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
1-[4-(3,4-dichlorophenyl)phenyl]sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593700
(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
CID 97427292
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316
3-(4-methoxyphenyl)sulfonyl-1-methylsulfonylazetidine
CID 72718913
(3R,4R)-4-amino-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-ol;hydrochloride
CID 154911275
1-(2,6-difluorophenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593630
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine (CID 72718927) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
The InChIKey is PSQQIUFNWRJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO6S2/c1-24-13-4-6-14(7-5-13)26(20,21)15-10-19(11-15)27(22,23)17-9-12(18)3-8-16(17)25-2/h3-9,15H,10-11H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine?
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine has a molecular weight of 431.92 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine is sourced from PubChem (CID 72718927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).