3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine

C18H20ClNO5S2 — CID 90595191

IUPAC3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClNO5S2/c1-12-8-17(25-3)18(9-13(12)2)27(23,24)20-10-16(11-20)26(21,22)15-6-4-14(19)5-7-15/h4-9,16H,10-11H2,1-3H3
InChIKeyGKCZADHQUKUDRF-UHFFFAOYSA-N
MW429.95 g/mol
LogP2.81
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine

3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine (PubChem CID 90595191) has the molecular formula C18H20ClNO5S2 and a molecular weight of 429.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
PubChem CID90595191
Molecular FormulaC18H20ClNO5S2
Molecular Weight429.95 g/mol
Exact Mass429.05
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H20ClNO5S2/c1-12-8-17(25-3)18(9-13(12)2)27(23,24)20-10-16(11-20)26(21,22)15-6-4-14(19)5-7-15/h4-9,16H,10-11H2,1-3H3
InChIKeyGKCZADHQUKUDRF-UHFFFAOYSA-N
XLogP2.81
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 52.81
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
1-(5-chloro-2-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593644
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
4-(4-fluorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90589892
3-cyclohexylsulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine
CID 90594028
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine (CID 90595191) is 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine is COc1cc(C)c(C)cc1S(=O)(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine?
The InChIKey is GKCZADHQUKUDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO5S2/c1-12-8-17(25-3)18(9-13(12)2)27(23,24)20-10-16(11-20)26(21,22)15-6-4-14(19)5-7-15/h4-9,16H,10-11H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine?
3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine has a molecular weight of 429.95 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-(2-methoxy-4,5-dimethylphenyl)sulfonylazetidine is sourced from PubChem (CID 90595191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).