4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride

C10H11Cl2FO2S — CID 98703148

IUPAC4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11Cl2FO2S/c11-9-7-8(4-5-10(9)13)3-1-2-6-16(12,14)15/h4-5,7H,1-3,6H2
InChIKeyJVSVGCCCADWINV-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.37
Rot. Bonds5

About 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride

4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride (PubChem CID 98703148) has the molecular formula C10H11Cl2FO2S and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride
PubChem CID98703148
Molecular FormulaC10H11Cl2FO2S
Molecular Weight285.17 g/mol
Exact Mass283.98
IUPAC Name4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11Cl2FO2S/c11-9-7-8(4-5-10(9)13)3-1-2-6-16(12,14)15/h4-5,7H,1-3,6H2
InChIKeyJVSVGCCCADWINV-UHFFFAOYSA-N
XLogP3.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride (CID 98703148) is 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride is O=S(=O)(Cl)CCCCc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride?
The InChIKey is JVSVGCCCADWINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2FO2S/c11-9-7-8(4-5-10(9)13)3-1-2-6-16(12,14)15/h4-5,7H,1-3,6H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride?
4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride has a molecular weight of 285.17 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)butane-1-sulfonyl chloride is sourced from PubChem (CID 98703148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).