2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride

C9H6ClF2NO3S — CID 64665342

IUPAC2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESO=C1CC(c2ccc(F)c(F)c2)N1S(=O)(=O)Cl
InChIInChI=1S/C9H6ClF2NO3S/c10-17(15,16)13-8(4-9(13)14)5-1-2-6(11)7(12)3-5/h1-3,8H,4H2
InChIKeyJAWKIISQEQJWCM-UHFFFAOYSA-N
MW281.67 g/mol
LogP1.72
Rot. Bonds2

About 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride

2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride (PubChem CID 64665342) has the molecular formula C9H6ClF2NO3S and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride
PubChem CID64665342
Molecular FormulaC9H6ClF2NO3S
Molecular Weight281.67 g/mol
Exact Mass280.97
IUPAC Name2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride
SMILESO=C1CC(c2ccc(F)c(F)c2)N1S(=O)(=O)Cl
InChIInChI=1S/C9H6ClF2NO3S/c10-17(15,16)13-8(4-9(13)14)5-1-2-6(11)7(12)3-5/h1-3,8H,4H2
InChIKeyJAWKIISQEQJWCM-UHFFFAOYSA-N
XLogP1.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride?
The IUPAC name of 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride (CID 64665342) is 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride is O=C1CC(c2ccc(F)c(F)c2)N1S(=O)(=O)Cl.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride?
The InChIKey is JAWKIISQEQJWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF2NO3S/c10-17(15,16)13-8(4-9(13)14)5-1-2-6(11)7(12)3-5/h1-3,8H,4H2.
What are the key properties of 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride?
2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride has a molecular weight of 281.67 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-oxoazetidine-1-sulfonyl chloride is sourced from PubChem (CID 64665342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).