(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone

C15H13Cl2NO4S — CID 90594622

IUPAC(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C15H13Cl2NO4S/c16-10-3-4-13(14(17)6-10)15(19)18-7-12(8-18)23(20,21)9-11-2-1-5-22-11/h1-6,12H,7-9H2
InChIKeyNQHBBDQNPRKSGI-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.03
Rot. Bonds4

About (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone

(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone (PubChem CID 90594622) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
PubChem CID90594622
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CC(S(=O)(=O)Cc2ccco2)C1
InChIInChI=1S/C15H13Cl2NO4S/c16-10-3-4-13(14(17)6-10)15(19)18-7-12(8-18)23(20,21)9-11-2-1-5-22-11/h1-6,12H,7-9H2
InChIKeyNQHBBDQNPRKSGI-UHFFFAOYSA-N
XLogP3.03
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]ethanone
CID 90594652
(E)-3-(4-chlorophenyl)-1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]prop-2-en-1-one
CID 90594584
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-(4-methylphenyl)methanone
CID 90594657
4-[3-(furan-2-ylmethylsulfonyl)azetidine-1-carbonyl]benzonitrile
CID 90594430
1-[(4-chlorophenyl)methylsulfonyl]-3-(furan-2-ylmethylsulfonyl)azetidine
CID 90594792
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
N-tert-butyl-3-(furan-2-ylmethylsulfonyl)azetidine-1-carboxamide
CID 90594685
[(1R)-cyclohex-3-en-1-yl]-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 97427527
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 71809429
[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 90594651
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(2-chlorophenyl)-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164417

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone (CID 90594622) is (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CC(S(=O)(=O)Cc2ccco2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone?
The InChIKey is NQHBBDQNPRKSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c16-10-3-4-13(14(17)6-10)15(19)18-7-12(8-18)23(20,21)9-11-2-1-5-22-11/h1-6,12H,7-9H2.
What are the key properties of (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone?
(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone has a molecular weight of 374.25 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone is sourced from PubChem (CID 90594622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).