2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride

C14H12ClFO4S2 — CID 57497788

IUPAC2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride
SMILESCCc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H12ClFO4S2/c1-2-10-3-6-13(9-14(10)22(15,19)20)21(17,18)12-7-4-11(16)5-8-12/h3-9H,2H2,1H3
InChIKeyHPGZRBFUMCQXOE-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.15
Rot. Bonds4

About 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride

2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride (PubChem CID 57497788) has the molecular formula C14H12ClFO4S2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride
PubChem CID57497788
Molecular FormulaC14H12ClFO4S2
Molecular Weight362.83 g/mol
Exact Mass361.98
IUPAC Name2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride
SMILESCCc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H12ClFO4S2/c1-2-10-3-6-13(9-14(10)22(15,19)20)21(17,18)12-7-4-11(16)5-8-12/h3-9H,2H2,1H3
InChIKeyHPGZRBFUMCQXOE-UHFFFAOYSA-N
XLogP3.15
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride?
The IUPAC name of 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride (CID 57497788) is 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride is CCc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride?
The InChIKey is HPGZRBFUMCQXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO4S2/c1-2-10-3-6-13(9-14(10)22(15,19)20)21(17,18)12-7-4-11(16)5-8-12/h3-9H,2H2,1H3.
What are the key properties of 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride?
2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride has a molecular weight of 362.83 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(4-fluorophenyl)sulfonylbenzenesulfonyl chloride is sourced from PubChem (CID 57497788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).