2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride

C11H13ClFNO4S — CID 82909937

IUPAC2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride
SMILESCCNC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H13ClFNO4S/c1-3-14-11(15)7(2)18-9-5-4-8(13)6-10(9)19(12,16)17/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyNVWUUDOQMLUUAO-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.66
Rot. Bonds5

About 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride

2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride (PubChem CID 82909937) has the molecular formula C11H13ClFNO4S and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride
PubChem CID82909937
Molecular FormulaC11H13ClFNO4S
Molecular Weight309.75 g/mol
Exact Mass309.02
IUPAC Name2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride
SMILESCCNC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H13ClFNO4S/c1-3-14-11(15)7(2)18-9-5-4-8(13)6-10(9)19(12,16)17/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyNVWUUDOQMLUUAO-UHFFFAOYSA-N
XLogP1.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride (CID 82909937) is 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride is CCNC(=O)C(C)Oc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride?
The InChIKey is NVWUUDOQMLUUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4S/c1-3-14-11(15)7(2)18-9-5-4-8(13)6-10(9)19(12,16)17/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride?
2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride has a molecular weight of 309.75 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 82909937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).