4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride

C10H11ClFNO4S — CID 82917384

IUPAC4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride
SMILESCCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H11ClFNO4S/c1-2-13-10(14)6-17-9-4-3-7(5-8(9)12)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyNVCVYPHDHLZQSK-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.27
Rot. Bonds5

About 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride

4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride (PubChem CID 82917384) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride
PubChem CID82917384
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride
SMILESCCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H11ClFNO4S/c1-2-13-10(14)6-17-9-4-3-7(5-8(9)12)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyNVCVYPHDHLZQSK-UHFFFAOYSA-N
XLogP1.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921031
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
4-[3-(ethylamino)-3-oxopropoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921179
3-methyl-4-[2-(2-methylpropylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82917075
4-[2-(2-methoxyethylamino)-2-oxoethoxy]-3-methylbenzenesulfonyl chloride
CID 82917868
3-(ethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367572
3-methyl-4-[2-(3-methylbutylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82911319
2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
3-fluoro-4-(2-methylpentoxy)benzenesulfonyl chloride
CID 78987373
N-carbamoyl-2-(2-fluoro-4-sulfamoylphenoxy)acetamide
CID 82920985
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 3306707
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-ethylacetamide
CID 27161142

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride (CID 82917384) is 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride is CCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride?
The InChIKey is NVCVYPHDHLZQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c1-2-13-10(14)6-17-9-4-3-7(5-8(9)12)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride?
4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride has a molecular weight of 295.72 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 82917384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).