4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride

C10H9ClFNO3S — CID 82918014

IUPAC4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride
SMILESCCC(C#N)Oc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H9ClFNO3S/c1-2-7(6-13)16-10-4-3-8(5-9(10)12)17(11,14)15/h3-5,7H,2H2,1H3
InChIKeyBOPUODHXFTUZGT-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.43
Rot. Bonds4

About 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride

4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride (PubChem CID 82918014) has the molecular formula C10H9ClFNO3S and a molecular weight of 277.70 g/mol. Its IUPAC name is 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride
PubChem CID82918014
Molecular FormulaC10H9ClFNO3S
Molecular Weight277.70 g/mol
Exact Mass277.00
IUPAC Name4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride
SMILESCCC(C#N)Oc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H9ClFNO3S/c1-2-7(6-13)16-10-4-3-8(5-9(10)12)17(11,14)15/h3-5,7H,2H2,1H3
InChIKeyBOPUODHXFTUZGT-UHFFFAOYSA-N
XLogP2.43
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-cyanopropoxy)benzenesulfonyl chloride
CID 82917382
2-[4-(chloromethyl)-2-fluorophenoxy]butanenitrile
CID 107691257
3-fluoro-4-(2-methylpentoxy)benzenesulfonyl chloride
CID 78987373
8-(1-cyanopropoxy)quinoline-5-sulfonyl chloride
CID 82910374
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]benzenesulfonyl chloride
CID 107041913
4-cyano-3-fluorobenzenesulfonyl chloride
CID 55280880
3-(1-cyanopropoxy)-2-methoxy-5-nitrobenzenesulfonyl chloride
CID 82913452
4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride
CID 82917384
2-(2-acetyl-5-fluorophenoxy)butanenitrile
CID 63067645
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
3-fluoro-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82916897

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride (CID 82918014) is 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride is CCC(C#N)Oc1ccc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride?
The InChIKey is BOPUODHXFTUZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3S/c1-2-7(6-13)16-10-4-3-8(5-9(10)12)17(11,14)15/h3-5,7H,2H2,1H3.
What are the key properties of 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride?
4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride has a molecular weight of 277.70 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanopropoxy)-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 82918014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).