1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine

C15H16ClNO5S2 — CID 90594792

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine
SMILESO=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H16ClNO5S2/c16-13-5-3-12(4-6-13)10-24(20,21)17-8-15(9-17)23(18,19)11-14-2-1-7-22-14/h1-7,15H,8-11H2
InChIKeyBRBHCHAHTLWWAX-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.06
Rot. Bonds6

About 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine

1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine (PubChem CID 90594792) has the molecular formula C15H16ClNO5S2 and a molecular weight of 389.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine
PubChem CID90594792
Molecular FormulaC15H16ClNO5S2
Molecular Weight389.88 g/mol
Exact Mass389.02
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine
SMILESO=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H16ClNO5S2/c16-13-5-3-12(4-6-13)10-24(20,21)17-8-15(9-17)23(18,19)11-14-2-1-7-22-14/h1-7,15H,8-11H2
InChIKeyBRBHCHAHTLWWAX-UHFFFAOYSA-N
XLogP2.06
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(4-chlorophenyl)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]prop-2-en-1-one
CID 90594584
(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 90594622
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938
3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine
CID 90594817
2-(2,4-dichlorophenoxy)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]ethanone
CID 90594652
3-(4-chloro-3-fluorophenyl)-1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]propan-1-one
CID 71808880
1-(5-chlorothiophen-2-yl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590695
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685
3-(furan-2-ylmethylsulfonyl)-N-phenylazetidine-1-carboxamide
CID 90594679
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 90594651

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine (CID 90594792) is 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine is O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine?
The InChIKey is BRBHCHAHTLWWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO5S2/c16-13-5-3-12(4-6-13)10-24(20,21)17-8-15(9-17)23(18,19)11-14-2-1-7-22-14/h1-7,15H,8-11H2.
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine?
1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine has a molecular weight of 389.88 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine is sourced from PubChem (CID 90594792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).