4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one

C9H7ClFNO2S — CID 118526719

IUPAC4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one
SMILESO=C1CC(S(=O)c2ccc(F)cc2Cl)N1
InChIInChI=1S/C9H7ClFNO2S/c10-6-3-5(11)1-2-7(6)15(14)9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyXZCJZUBGQIZPFM-UHFFFAOYSA-N
MW247.68 g/mol
LogP1.43
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one

4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one (PubChem CID 118526719) has the molecular formula C9H7ClFNO2S and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one
PubChem CID118526719
Molecular FormulaC9H7ClFNO2S
Molecular Weight247.68 g/mol
Exact Mass246.99
IUPAC Name4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one
SMILESO=C1CC(S(=O)c2ccc(F)cc2Cl)N1
InChIInChI=1S/C9H7ClFNO2S/c10-6-3-5(11)1-2-7(6)15(14)9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13)
InChIKeyXZCJZUBGQIZPFM-UHFFFAOYSA-N
XLogP1.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526345
4-(2,4-Dichlorophenyl)sulfanylazetidin-2-one
CID 118526527
4-(2-Chloro-4-fluorophenyl)sulfanylazetidin-2-one
CID 118526716
4-[(4-Chlorophenyl)sulfanyl]azetidin-2-one
CID 111483
4-(Phenylsulfinyl)-2-azetidinone
CID 14984775
4-(2,4-Difluorophenyl)sulfinylazetidin-2-one
CID 118526576
cis-3-Chloro-3-phenylthio beta-lactam
CID 154585804
2-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760294
3-(2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78780285
N-[3-(2-chlorophenyl)sulfonylpropyl]-2,2,2-trifluoroacetamide
CID 84595864
2-(2-chloro-4-fluorophenyl)sulfonyl-N-cyclopropylpropanamide
CID 85623168
N-(2-aminoethyl)-2-(3-chloro-4-fluorophenyl)sulfinylacetamide
CID 113318138

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one (CID 118526719) is 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one is O=C1CC(S(=O)c2ccc(F)cc2Cl)N1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one?
The InChIKey is XZCJZUBGQIZPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2S/c10-6-3-5(11)1-2-7(6)15(14)9-4-8(13)12-9/h1-3,9H,4H2,(H,12,13).
What are the key properties of 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one?
4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one has a molecular weight of 247.68 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)sulfinylazetidin-2-one is sourced from PubChem (CID 118526719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).