1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone

C24H20Cl2FNO4S — CID 158827733

IUPAC1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone
SMILESO=C(COc1c(Cl)cc(Cl)cc1S(=O)(=O)Cc1cc(-c2ccccc2)ccc1F)N1CCC1
InChIInChI=1S/C24H20Cl2FNO4S/c25-19-12-20(26)24(32-14-23(29)28-9-4-10-28)22(13-19)33(30,31)15-18-11-17(7-8-21(18)27)16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,14-15H2
InChIKeyIWQOVWZYXBPWNB-UHFFFAOYSA-N
MW508.40 g/mol
LogP5.38
Rot. Bonds7

About 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone

1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone (PubChem CID 158827733) has the molecular formula C24H20Cl2FNO4S and a molecular weight of 508.40 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone
PubChem CID158827733
Molecular FormulaC24H20Cl2FNO4S
Molecular Weight508.40 g/mol
Exact Mass507.05
IUPAC Name1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone
SMILESO=C(COc1c(Cl)cc(Cl)cc1S(=O)(=O)Cc1cc(-c2ccccc2)ccc1F)N1CCC1
InChIInChI=1S/C24H20Cl2FNO4S/c25-19-12-20(26)24(32-14-23(29)28-9-4-10-28)22(13-19)33(30,31)15-18-11-17(7-8-21(18)27)16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,14-15H2
InChIKeyIWQOVWZYXBPWNB-UHFFFAOYSA-N
XLogP5.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone with MolForge

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Related Compounds

2-[4-(azetidine-1-carbonyl)-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenoxy]acetic acid
CID 159486905
2-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 160808013
2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)sulfamoyl]phenoxy]acetamide
CID 146545931
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 38113540
[3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-hydroxyphenyl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
CID 159352050
2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119401188
2-(2-chloro-4-phenylphenoxy)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 17436000
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 61379377
2-(2-bromo-4,6-dichlorophenoxy)-1-[4-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 17096623
3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82918055

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone (CID 158827733) is 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone is O=C(COc1c(Cl)cc(Cl)cc1S(=O)(=O)Cc1cc(-c2ccccc2)ccc1F)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone?
The InChIKey is IWQOVWZYXBPWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FNO4S/c25-19-12-20(26)24(32-14-23(29)28-9-4-10-28)22(13-19)33(30,31)15-18-11-17(7-8-21(18)27)16-5-2-1-3-6-16/h1-3,5-8,11-13H,4,9-10,14-15H2.
What are the key properties of 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone?
1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone has a molecular weight of 508.40 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenoxy]ethanone is sourced from PubChem (CID 158827733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).