2-chloro-5-propylbenzenesulfonyl fluoride

C9H10ClFO2S — CID 165453292

IUPAC2-chloro-5-propylbenzenesulfonyl fluoride
SMILESCCCc1ccc(Cl)c(S(=O)(=O)F)c1
InChIInChI=1S/C9H10ClFO2S/c1-2-3-7-4-5-8(10)9(6-7)14(11,12)13/h4-6H,2-3H2,1H3
InChIKeyJBKSHJRSWOQNSL-UHFFFAOYSA-N
MW236.69 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-5-propylbenzenesulfonyl fluoride

2-chloro-5-propylbenzenesulfonyl fluoride (PubChem CID 165453292) has the molecular formula C9H10ClFO2S and a molecular weight of 236.69 g/mol. Its IUPAC name is 2-chloro-5-propylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-chloro-5-propylbenzenesulfonyl fluoride
PubChem CID165453292
Molecular FormulaC9H10ClFO2S
Molecular Weight236.69 g/mol
Exact Mass236.01
IUPAC Name2-chloro-5-propylbenzenesulfonyl fluoride
SMILESCCCc1ccc(Cl)c(S(=O)(=O)F)c1
InChIInChI=1S/C9H10ClFO2S/c1-2-3-7-4-5-8(10)9(6-7)14(11,12)13/h4-6H,2-3H2,1H3
InChIKeyJBKSHJRSWOQNSL-UHFFFAOYSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dichloro-5-methylbenzene-1-sulphonyl chloride
CID 119914
[4-Chloro-3-(dimethylsulfamoyl)phenyl]methanesulfonyl fluoride
CID 155556475
2-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 2734274
2-(4-Chlorophenyl)ethane-1-sulfonyl chloride
CID 2757780
3-[4-Chloro-3-(dimethylsulfamoyl)phenyl]propane-1-sulfonyl fluoride
CID 155511172
4-Chloro-m-toluenesulfonamide
CID 222557
2-Chloro-5-trifluoromethyl-benzenesulfonamide
CID 4131856
Benzene, 1-chloro-4-(2,2-dichloro-1-(4-chlorophenyl)ethenyl)-2-(methylsulfonyl)-
CID 107946
2-Chloro-5-methylbenzene-1-sulfonyl chloride
CID 15155333
2,6-Dichloro-3-methylbenzene-1-sulfonyl chloride
CID 16769922
2-Chloro-3-methylbenzenesulfonyl chloride
CID 23126432
2-Chloro-3-methylbenzene-1-sulfonamide
CID 71433015

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propylbenzenesulfonyl fluoride?
The IUPAC name of 2-chloro-5-propylbenzenesulfonyl fluoride (CID 165453292) is 2-chloro-5-propylbenzenesulfonyl fluoride.
What is the SMILES notation for 2-chloro-5-propylbenzenesulfonyl fluoride?
The canonical SMILES for 2-chloro-5-propylbenzenesulfonyl fluoride is CCCc1ccc(Cl)c(S(=O)(=O)F)c1.
What is the InChIKey of 2-chloro-5-propylbenzenesulfonyl fluoride?
The InChIKey is JBKSHJRSWOQNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2S/c1-2-3-7-4-5-8(10)9(6-7)14(11,12)13/h4-6H,2-3H2,1H3.
What are the key properties of 2-chloro-5-propylbenzenesulfonyl fluoride?
2-chloro-5-propylbenzenesulfonyl fluoride has a molecular weight of 236.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propylbenzenesulfonyl fluoride is sourced from PubChem (CID 165453292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).