4-(2,4-dichlorophenyl)sulfanylazetidin-2-one

C9H7Cl2NOS — CID 118526527

IUPAC4-(2,4-dichlorophenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C9H7Cl2NOS/c10-5-1-2-7(6(11)3-5)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyYBOQSSBXZHSTPU-UHFFFAOYSA-N
MW248.13 g/mol
LogP2.93
Rot. Bonds2

About 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one

4-(2,4-dichlorophenyl)sulfanylazetidin-2-one (PubChem CID 118526527) has the molecular formula C9H7Cl2NOS and a molecular weight of 248.13 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)sulfanylazetidin-2-one
PubChem CID118526527
Molecular FormulaC9H7Cl2NOS
Molecular Weight248.13 g/mol
Exact Mass246.96
IUPAC Name4-(2,4-dichlorophenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C9H7Cl2NOS/c10-5-1-2-7(6(11)3-5)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyYBOQSSBXZHSTPU-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)sulfanyl]-N-ethylpropanamide
CID 2865304
2-(4-chlorophenyl)sulfanyl-N-prop-2-enylacetamide
CID 2272364
N-allyl-2-[(4-chlorophenyl)thio]propanamide
CID 2889882
4-(3-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526345
4-(2-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526716
4-[(4-Chlorophenyl)sulfanyl]azetidin-2-one
CID 111483
N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}acetamide
CID 539761
2-Fluoro-N-(2,2,2-trichloro-1-(4-chloro-phenylsulfanyl)-ethyl)-acetamide
CID 2830317
2-[(4-chlorophenyl)sulfanyl]-N-methylacetamide
CID 846759
2-(4-chlorophenyl)sulfanyl-N-ethylacetamide
CID 875475
N-allyl-3-[(4-chlorophenyl)thio]propanamide
CID 2270949
4-(2-Chloro-4-fluorophenyl)sulfinylazetidin-2-one
CID 118526719

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one?
The IUPAC name of 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one (CID 118526527) is 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one is O=C1CC(Sc2ccc(Cl)cc2Cl)N1.
What is the InChIKey of 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one?
The InChIKey is YBOQSSBXZHSTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NOS/c10-5-1-2-7(6(11)3-5)14-9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13).
What are the key properties of 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one?
4-(2,4-dichlorophenyl)sulfanylazetidin-2-one has a molecular weight of 248.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 118526527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).