ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate

C7H8Cl2N4O4S — CID 114049152

IUPACethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C7H8Cl2N4O4S/c1-2-17-7(14)13-18(15,16)12-6-4(8)5(9)10-3-11-6/h3H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyMYZGHTIZEHAJKX-UHFFFAOYSA-N
MW315.14 g/mol
LogP1.19
Rot. Bonds4

About ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate

ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate (PubChem CID 114049152) has the molecular formula C7H8Cl2N4O4S and a molecular weight of 315.14 g/mol. Its IUPAC name is ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate
PubChem CID114049152
Molecular FormulaC7H8Cl2N4O4S
Molecular Weight315.14 g/mol
Exact Mass313.96
IUPAC Nameethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C7H8Cl2N4O4S/c1-2-17-7(14)13-18(15,16)12-6-4(8)5(9)10-3-11-6/h3H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyMYZGHTIZEHAJKX-UHFFFAOYSA-N
XLogP1.19
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate (CID 114049152) is ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate?
The InChIKey is MYZGHTIZEHAJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4O4S/c1-2-17-7(14)13-18(15,16)12-6-4(8)5(9)10-3-11-6/h3H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate?
ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate has a molecular weight of 315.14 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5,6-dichloropyrimidin-4-yl)sulfamoyl]carbamate is sourced from PubChem (CID 114049152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).