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

C9H7ClF2N2O5S — CID 82921537

IUPAC2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESNC(=O)NC(=O)COc1c(F)cc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClF2N2O5S/c10-20(17,18)6-2-4(11)1-5(12)8(6)19-3-7(15)14-9(13)16/h1-2H,3H2,(H3,13,14,15,16)
InChIKeyWADUWSVEFZEGRX-UHFFFAOYSA-N
MW328.68 g/mol
LogP0.47
Rot. Bonds4

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

2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride (PubChem CID 82921537) has the molecular formula C9H7ClF2N2O5S and a molecular weight of 328.68 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
PubChem CID82921537
Molecular FormulaC9H7ClF2N2O5S
Molecular Weight328.68 g/mol
Exact Mass327.97
IUPAC Name2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESNC(=O)NC(=O)COc1c(F)cc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClF2N2O5S/c10-20(17,18)6-2-4(11)1-5(12)8(6)19-3-7(15)14-9(13)16/h1-2H,3H2,(H3,13,14,15,16)
InChIKeyWADUWSVEFZEGRX-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-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
CID 82920937
3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915058
2-(2,4-difluoro-6-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82915817
2-[2-(ethylamino)-2-oxoethoxy]-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 82914092
3,5-difluoro-2-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82912358
2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
CID 43169631
3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide
CID 82919002
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
CID 82916908
2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide
CID 106439092
N-carbamoyl-2-(2-fluoro-4-sulfamoylphenoxy)acetamide
CID 82920985
4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921031

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride (CID 82921537) is 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride is NC(=O)NC(=O)COc1c(F)cc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is WADUWSVEFZEGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O5S/c10-20(17,18)6-2-4(11)1-5(12)8(6)19-3-7(15)14-9(13)16/h1-2H,3H2,(H3,13,14,15,16).
What are the key properties of 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride?
2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-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 2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 82921537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).