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

C9H7ClF2N2O5S — CID 82920937

IUPAC4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
SMILESNC(=O)NC(=O)COc1ccc(S(=O)(=O)Cl)c(F)c1F
InChIInChI=1S/C9H7ClF2N2O5S/c10-20(17,18)5-2-1-4(7(11)8(5)12)19-3-6(15)14-9(13)16/h1-2H,3H2,(H3,13,14,15,16)
InChIKeyCHOJZUBLQJHZQX-UHFFFAOYSA-N
MW328.68 g/mol
LogP0.47
Rot. Bonds4

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

4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride (PubChem CID 82920937) has the molecular formula C9H7ClF2N2O5S and a molecular weight of 328.68 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
PubChem CID82920937
Molecular FormulaC9H7ClF2N2O5S
Molecular Weight328.68 g/mol
Exact Mass327.97
IUPAC Name4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
SMILESNC(=O)NC(=O)COc1ccc(S(=O)(=O)Cl)c(F)c1F
InChIInChI=1S/C9H7ClF2N2O5S/c10-20(17,18)5-2-1-4(7(11)8(5)12)19-3-6(15)14-9(13)16/h1-2H,3H2,(H3,13,14,15,16)
InChIKeyCHOJZUBLQJHZQX-UHFFFAOYSA-N
XLogP0.47
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
CID 82920933
4-[1-(carbamoylamino)-1-oxopropan-2-yl]oxy-2,3-difluorobenzenesulfonyl chloride
CID 82911539
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
CID 82916908
2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921537
N-carbamoyl-2-(2-fluoro-4-sulfamoylphenoxy)acetamide
CID 82920985
2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
CID 63036585
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
4-(4,4-dimethylpent-2-ynoxy)-2,3-difluorobenzenesulfonyl chloride
CID 114189808
N-carbamoyl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]acetamide
CID 107687126
2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
CID 61388966
2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82917581

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride (CID 82920937) is 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride is NC(=O)NC(=O)COc1ccc(S(=O)(=O)Cl)c(F)c1F.
What is the InChIKey of 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride?
The InChIKey is CHOJZUBLQJHZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O5S/c10-20(17,18)5-2-1-4(7(11)8(5)12)19-3-6(15)14-9(13)16/h1-2H,3H2,(H3,13,14,15,16).
What are the key properties of 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride?
4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride has a molecular weight of 328.68 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 82920937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).