ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate

C8H10BrN3O4S — CID 114463883

IUPACethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ccncc1Br
InChIInChI=1S/C8H10BrN3O4S/c1-2-16-8(13)12-17(14,15)11-7-3-4-10-5-6(7)9/h3-5H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyCCJBTSMGDKDSJT-UHFFFAOYSA-N
MW324.16 g/mol
LogP1.25
Rot. Bonds4

About ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate

ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate (PubChem CID 114463883) has the molecular formula C8H10BrN3O4S and a molecular weight of 324.16 g/mol. Its IUPAC name is ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate
PubChem CID114463883
Molecular FormulaC8H10BrN3O4S
Molecular Weight324.16 g/mol
Exact Mass322.96
IUPAC Nameethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)Nc1ccncc1Br
InChIInChI=1S/C8H10BrN3O4S/c1-2-16-8(13)12-17(14,15)11-7-3-4-10-5-6(7)9/h3-5H,2H2,1H3,(H,10,11)(H,12,13)
InChIKeyCCJBTSMGDKDSJT-UHFFFAOYSA-N
XLogP1.25
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate (CID 114463883) is ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)Nc1ccncc1Br.
What is the InChIKey of ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate?
The InChIKey is CCJBTSMGDKDSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O4S/c1-2-16-8(13)12-17(14,15)11-7-3-4-10-5-6(7)9/h3-5H,2H2,1H3,(H,10,11)(H,12,13).
What are the key properties of ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate?
ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate has a molecular weight of 324.16 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-bromo-4-pyridinyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).