ethylsulfonylurea

C3H8N2O3S — CID 19365481

IUPACethylsulfonylurea
SMILESCCS(=O)(=O)NC(N)=O
InChIInChI=1S/C3H8N2O3S/c1-2-9(7,8)5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKeyLUKYOIVBTHHOML-UHFFFAOYSA-N
MW152.18 g/mol
LogP-1.00
Rot. Bonds2

About ethylsulfonylurea

ethylsulfonylurea (PubChem CID 19365481) has the molecular formula C3H8N2O3S and a molecular weight of 152.18 g/mol. Its IUPAC name is ethylsulfonylurea.

Molecular Properties

Compound Nameethylsulfonylurea
PubChem CID19365481
Molecular FormulaC3H8N2O3S
Molecular Weight152.18 g/mol
Exact Mass152.03
IUPAC Nameethylsulfonylurea
SMILESCCS(=O)(=O)NC(N)=O
InChIInChI=1S/C3H8N2O3S/c1-2-9(7,8)5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKeyLUKYOIVBTHHOML-UHFFFAOYSA-N
XLogP-1.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethylsulfonylurea?
The IUPAC name of ethylsulfonylurea (CID 19365481) is ethylsulfonylurea.
What is the SMILES notation for ethylsulfonylurea?
The canonical SMILES for ethylsulfonylurea is CCS(=O)(=O)NC(N)=O.
What is the InChIKey of ethylsulfonylurea?
The InChIKey is LUKYOIVBTHHOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3S/c1-2-9(7,8)5-3(4)6/h2H2,1H3,(H3,4,5,6).
What are the key properties of ethylsulfonylurea?
ethylsulfonylurea has a molecular weight of 152.18 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfonylurea is sourced from PubChem (CID 19365481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).