2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride

C9H8Cl2N2O5S — CID 82920933

IUPAC2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
SMILESNC(=O)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H8Cl2N2O5S/c10-5-1-2-6(7(3-5)19(11,16)17)18-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15)
InChIKeyOUWAYIPQJQCHJN-UHFFFAOYSA-N
MW327.15 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride

2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride (PubChem CID 82920933) has the molecular formula C9H8Cl2N2O5S and a molecular weight of 327.15 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
PubChem CID82920933
Molecular FormulaC9H8Cl2N2O5S
Molecular Weight327.15 g/mol
Exact Mass325.95
IUPAC Name2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
SMILESNC(=O)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H8Cl2N2O5S/c10-5-1-2-6(7(3-5)19(11,16)17)18-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15)
InChIKeyOUWAYIPQJQCHJN-UHFFFAOYSA-N
XLogP0.84
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
CID 82920937
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
CID 82916908
5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921961
5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921081
2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921537
N-carbamoyl-2-(2-fluoro-4-sulfamoylphenoxy)acetamide
CID 82920985
5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083
2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
CID 61388966
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
CID 82922031
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride?
The IUPAC name of 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride (CID 82920933) is 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride?
The canonical SMILES for 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride is NC(=O)NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride?
The InChIKey is OUWAYIPQJQCHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O5S/c10-5-1-2-6(7(3-5)19(11,16)17)18-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15).
What are the key properties of 2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride?
2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride has a molecular weight of 327.15 g/mol, XLogP of 0.84, 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]-5-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 82920933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).