4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride

C10H10ClF2NO4S — CID 82921031

IUPAC4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESCCNC(=O)COc1c(F)cc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H10ClF2NO4S/c1-2-14-9(15)5-18-10-7(12)3-6(4-8(10)13)19(11,16)17/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyMGIVHTYUHSIGIL-UHFFFAOYSA-N
MW313.71 g/mol
LogP1.41
Rot. Bonds5

About 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride

4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride (PubChem CID 82921031) has the molecular formula C10H10ClF2NO4S and a molecular weight of 313.71 g/mol. Its IUPAC name is 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
PubChem CID82921031
Molecular FormulaC10H10ClF2NO4S
Molecular Weight313.71 g/mol
Exact Mass313.00
IUPAC Name4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESCCNC(=O)COc1c(F)cc(S(=O)(=O)Cl)cc1F
InChIInChI=1S/C10H10ClF2NO4S/c1-2-14-9(15)5-18-10-7(12)3-6(4-8(10)13)19(11,16)17/h3-4H,2,5H2,1H3,(H,14,15)
InChIKeyMGIVHTYUHSIGIL-UHFFFAOYSA-N
XLogP1.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(ethylamino)-3-oxopropoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921179
4-[2-(ethylamino)-2-oxoethoxy]-3-fluorobenzenesulfonyl chloride
CID 82917384
3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonyl chloride
CID 82921830
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
CID 79887348
2-[2-(ethylamino)-2-oxoethoxy]-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 82914092
3-[4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorophenyl]prop-2-enoic acid
CID 79887974
methyl 2-(4-chlorosulfonyl-2,6-difluorophenoxy)acetate;methyl 2-(2,6-difluoro-4-sulfanylphenoxy)acetate
CID 161085130
4-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonyl chloride
CID 106437252
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
CID 82919006
4-(2-ethylbutoxy)-3,5-difluorobenzenesulfonyl chloride
CID 82927491
3-(4-chlorosulfonyl-2,6-difluorophenoxy)propanoic acid
CID 81268857
3,5-difluoro-4-(3-methylbut-2-enoxy)benzenesulfonyl chloride
CID 82921324

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride (CID 82921031) is 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride is CCNC(=O)COc1c(F)cc(S(=O)(=O)Cl)cc1F.
What is the InChIKey of 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is MGIVHTYUHSIGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO4S/c1-2-14-9(15)5-18-10-7(12)3-6(4-8(10)13)19(11,16)17/h3-4H,2,5H2,1H3,(H,14,15).
What are the key properties of 4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride?
4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride has a molecular weight of 313.71 g/mol, XLogP of 1.41, 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]-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 82921031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).