3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine

C20H22ClNO3S — CID 53008544

IUPAC3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClNO3S/c21-18-8-5-15(6-9-18)14-25-19-12-22(13-19)26(23,24)20-10-7-16-3-1-2-4-17(16)11-20/h5-11,19H,1-4,12-14H2
InChIKeyCTRUEHQHASKXCM-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.81
Rot. Bonds5

About 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine

3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine (PubChem CID 53008544) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
PubChem CID53008544
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CC(OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22ClNO3S/c21-18-8-5-15(6-9-18)14-25-19-12-22(13-19)26(23,24)20-10-7-16-3-1-2-4-17(16)11-20/h5-11,19H,1-4,12-14H2
InChIKeyCTRUEHQHASKXCM-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
CID 53089776
(4-chlorophenyl)methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809179
3-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 121146815
1-(4-chlorophenyl)sulfonyl-3-[(3,5-dimethoxyphenyl)methoxy]piperidine
CID 46153744
3-cyclohexylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine
CID 90594025
7-[3-(3-chlorophenoxy)azetidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 44573160
5,6,7,8-tetrahydronaphthalen-2-yl 4-chlorobenzenesulfonate
CID 110504269
3-(chloromethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine
CID 63400425
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
2-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 122252151
1-(3-methylbutyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113075040
7-[3-(2-chlorophenoxy)azetidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 44573159

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine (CID 53008544) is 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(OCc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine?
The InChIKey is CTRUEHQHASKXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c21-18-8-5-15(6-9-18)14-25-19-12-22(13-19)26(23,24)20-10-7-16-3-1-2-4-17(16)11-20/h5-11,19H,1-4,12-14H2.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine?
3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine has a molecular weight of 391.92 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azetidine is sourced from PubChem (CID 53008544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).