4-butyl-3-chlorobenzenesulfonyl fluoride

C10H12ClFO2S — CID 173333440

IUPAC4-butyl-3-chlorobenzenesulfonyl fluoride
SMILESCCCCc1ccc(S(=O)(=O)F)cc1Cl
InChIInChI=1S/C10H12ClFO2S/c1-2-3-4-8-5-6-9(7-10(8)11)15(12,13)14/h5-7H,2-4H2,1H3
InChIKeyGTPXOHYYGIKKNW-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.34
Rot. Bonds4

About 4-butyl-3-chlorobenzenesulfonyl fluoride

4-butyl-3-chlorobenzenesulfonyl fluoride (PubChem CID 173333440) has the molecular formula C10H12ClFO2S and a molecular weight of 250.72 g/mol. Its IUPAC name is 4-butyl-3-chlorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-butyl-3-chlorobenzenesulfonyl fluoride
PubChem CID173333440
Molecular FormulaC10H12ClFO2S
Molecular Weight250.72 g/mol
Exact Mass250.02
IUPAC Name4-butyl-3-chlorobenzenesulfonyl fluoride
SMILESCCCCc1ccc(S(=O)(=O)F)cc1Cl
InChIInChI=1S/C10H12ClFO2S/c1-2-3-4-8-5-6-9(7-10(8)11)15(12,13)14/h5-7H,2-4H2,1H3
InChIKeyGTPXOHYYGIKKNW-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-chlorobenzenesulfonyl fluoride?
The IUPAC name of 4-butyl-3-chlorobenzenesulfonyl fluoride (CID 173333440) is 4-butyl-3-chlorobenzenesulfonyl fluoride.
What is the SMILES notation for 4-butyl-3-chlorobenzenesulfonyl fluoride?
The canonical SMILES for 4-butyl-3-chlorobenzenesulfonyl fluoride is CCCCc1ccc(S(=O)(=O)F)cc1Cl.
What is the InChIKey of 4-butyl-3-chlorobenzenesulfonyl fluoride?
The InChIKey is GTPXOHYYGIKKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2S/c1-2-3-4-8-5-6-9(7-10(8)11)15(12,13)14/h5-7H,2-4H2,1H3.
What are the key properties of 4-butyl-3-chlorobenzenesulfonyl fluoride?
4-butyl-3-chlorobenzenesulfonyl fluoride has a molecular weight of 250.72 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-chlorobenzenesulfonyl fluoride is sourced from PubChem (CID 173333440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).