ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate

C8H9Cl2N3O4S — CID 51129533

IUPACethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H9Cl2N3O4S/c1-2-17-8(14)12-13-18(15,16)5-3-4-6(9)11-7(5)10/h3-4,13H,2H2,1H3,(H,12,14)
InChIKeyGTUKXEZBUKBOQT-UHFFFAOYSA-N
MW314.15 g/mol
LogP1.33
Rot. Bonds4

About ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate

ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate (PubChem CID 51129533) has the molecular formula C8H9Cl2N3O4S and a molecular weight of 314.15 g/mol. Its IUPAC name is ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate
PubChem CID51129533
Molecular FormulaC8H9Cl2N3O4S
Molecular Weight314.15 g/mol
Exact Mass312.97
IUPAC Nameethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C8H9Cl2N3O4S/c1-2-17-8(14)12-13-18(15,16)5-3-4-6(9)11-7(5)10/h3-4,13H,2H2,1H3,(H,12,14)
InChIKeyGTUKXEZBUKBOQT-UHFFFAOYSA-N
XLogP1.33
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
CID 47309506
ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate
CID 138009542
ethyl N-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]carbamate
CID 31689260
6-chloro-N'-ethoxy-5-(methylsulfamoyl)pyridine-2-carboximidamide
CID 174144489
diethyl 2-(2,6-dichloro-3-pyridinyl)propanedioate
CID 153378550
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
ethyl N-[(4-bromo-3-methylphenyl)sulfonylamino]carbamate
CID 2697001
ethyl 3-bromo-4-[(methoxycarbonylamino)sulfamoyl]benzoate
CID 35507607
ethyl N-[(2-fluoro-5-methyl-4-nitrophenyl)sulfonylamino]carbamate
CID 126824028
ethyl N-[(5-fluoro-4-methyl-2-nitrophenyl)sulfonylamino]carbamate
CID 126831124
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 51133066
2,6-dichloropyridine-3-sulfonic acid;hydrochloride
CID 174865536

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate?
The IUPAC name of ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate (CID 51129533) is ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate.
What is the SMILES notation for ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate?
The canonical SMILES for ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate is CCOC(=O)NNS(=O)(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate?
The InChIKey is GTUKXEZBUKBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O4S/c1-2-17-8(14)12-13-18(15,16)5-3-4-6(9)11-7(5)10/h3-4,13H,2H2,1H3,(H,12,14).
What are the key properties of ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate?
ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate has a molecular weight of 314.15 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate is sourced from PubChem (CID 51129533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).