4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride

C12H9Cl2FO2S — CID 175393703

IUPAC4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(F)C=CC(c2ccccc2Cl)=CC1
InChIInChI=1S/C12H9Cl2FO2S/c13-11-4-2-1-3-10(11)9-5-7-12(15,8-6-9)18(14,16)17/h1-7H,8H2
InChIKeyFUWVDEKIHVOBJD-UHFFFAOYSA-N
MW307.17 g/mol
LogP3.92
Rot. Bonds2

About 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride

4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride (PubChem CID 175393703) has the molecular formula C12H9Cl2FO2S and a molecular weight of 307.17 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride
PubChem CID175393703
Molecular FormulaC12H9Cl2FO2S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(F)C=CC(c2ccccc2Cl)=CC1
InChIInChI=1S/C12H9Cl2FO2S/c13-11-4-2-1-3-10(11)9-5-7-12(15,8-6-9)18(14,16)17/h1-7H,8H2
InChIKeyFUWVDEKIHVOBJD-UHFFFAOYSA-N
XLogP3.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride?
The IUPAC name of 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride (CID 175393703) is 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride.
What is the SMILES notation for 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride?
The canonical SMILES for 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride is O=S(=O)(Cl)C1(F)C=CC(c2ccccc2Cl)=CC1.
What is the InChIKey of 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride?
The InChIKey is FUWVDEKIHVOBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FO2S/c13-11-4-2-1-3-10(11)9-5-7-12(15,8-6-9)18(14,16)17/h1-7H,8H2.
What are the key properties of 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride?
4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride has a molecular weight of 307.17 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-fluorocyclohexa-2,4-diene-1-sulfonyl chloride is sourced from PubChem (CID 175393703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).