4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride

C9H8Cl2N2O5S — CID 82916908

IUPAC4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
SMILESNC(=O)NC(=O)COc1ccc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2O5S/c10-6-3-5(19(11,16)17)1-2-7(6)18-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15)
InChIKeyKRSVDPACMBYRQE-UHFFFAOYSA-N
MW327.15 g/mol
LogP0.84
Rot. Bonds4

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

4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride (PubChem CID 82916908) has the molecular formula C9H8Cl2N2O5S and a molecular weight of 327.15 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
PubChem CID82916908
Molecular FormulaC9H8Cl2N2O5S
Molecular Weight327.15 g/mol
Exact Mass325.95
IUPAC Name4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride
SMILESNC(=O)NC(=O)COc1ccc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2O5S/c10-6-3-5(19(11,16)17)1-2-7(6)18-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15)
InChIKeyKRSVDPACMBYRQE-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

2-[2-(carbamoylamino)-2-oxoethoxy]-5-chlorobenzenesulfonyl chloride
CID 82920933
2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
CID 61388966
4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzenesulfonyl chloride
CID 13315417
4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride
CID 82917070
4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
CID 82920937
N-carbamoyl-2-(2-fluoro-4-sulfamoylphenoxy)acetamide
CID 82920985
2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
3-chloro-4-[4-(methylamino)-4-oxobutoxy]benzenesulfonyl chloride
CID 82916549
3-chloro-4-(3-methylbut-2-enoxy)benzenesulfonyl chloride
CID 82915908
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 3304224
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
3-chloro-4-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82911090

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride?
The IUPAC name of 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride (CID 82916908) is 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride?
The canonical SMILES for 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride is NC(=O)NC(=O)COc1ccc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride?
The InChIKey is KRSVDPACMBYRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O5S/c10-6-3-5(19(11,16)17)1-2-7(6)18-4-8(14)13-9(12)15/h1-3H,4H2,(H3,12,13,14,15).
What are the key properties of 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride?
4-[2-(carbamoylamino)-2-oxoethoxy]-3-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 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 82916908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).