1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride

C9H7Cl3O2S — CID 141284433

IUPAC1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C9H7Cl3O2S/c10-6-1-2-7(8(11)5-6)9(3-4-9)15(12,13)14/h1-2,5H,3-4H2
InChIKeyWOANDMKYYUWBAO-UHFFFAOYSA-N
MW285.58 g/mol
LogP3.55
Rot. Bonds2

About 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride

1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride (PubChem CID 141284433) has the molecular formula C9H7Cl3O2S and a molecular weight of 285.58 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride
PubChem CID141284433
Molecular FormulaC9H7Cl3O2S
Molecular Weight285.58 g/mol
Exact Mass283.92
IUPAC Name1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C9H7Cl3O2S/c10-6-1-2-7(8(11)5-6)9(3-4-9)15(12,13)14/h1-2,5H,3-4H2
InChIKeyWOANDMKYYUWBAO-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.58
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride (CID 141284433) is 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is WOANDMKYYUWBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O2S/c10-6-1-2-7(8(11)5-6)9(3-4-9)15(12,13)14/h1-2,5H,3-4H2.
What are the key properties of 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride?
1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 285.58 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 141284433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).