2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea

C8H10Cl2N4O3S — CID 83110624

IUPAC2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H10Cl2N4O3S/c9-6-3-5(4-13-7(6)10)18(16,17)14-2-1-12-8(11)15/h3-4,14H,1-2H2,(H3,11,12,15)
InChIKeyUVBXVWNZOQRBGZ-UHFFFAOYSA-N
MW313.17 g/mol
LogP0.34
Rot. Bonds5

About 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea

2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea (PubChem CID 83110624) has the molecular formula C8H10Cl2N4O3S and a molecular weight of 313.17 g/mol. Its IUPAC name is 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
PubChem CID83110624
Molecular FormulaC8H10Cl2N4O3S
Molecular Weight313.17 g/mol
Exact Mass311.99
IUPAC Name2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
SMILESNC(=O)NCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C8H10Cl2N4O3S/c9-6-3-5(4-13-7(6)10)18(16,17)14-2-1-12-8(11)15/h3-4,14H,1-2H2,(H3,11,12,15)
InChIKeyUVBXVWNZOQRBGZ-UHFFFAOYSA-N
XLogP0.34
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea 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

4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
N-tert-butyl-3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propanamide
CID 115641375
2-[(2-aminopyrimidin-5-yl)sulfonylamino]ethylurea
CID 83115293
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
4-[2-(carbamoylamino)ethylsulfamoyl]-2-chlorobenzoic acid
CID 107090234
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea?
The IUPAC name of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea (CID 83110624) is 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea.
What is the SMILES notation for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea?
The canonical SMILES for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea is NC(=O)NCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea?
The InChIKey is UVBXVWNZOQRBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4O3S/c9-6-3-5(4-13-7(6)10)18(16,17)14-2-1-12-8(11)15/h3-4,14H,1-2H2,(H3,11,12,15).
What are the key properties of 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea?
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea has a molecular weight of 313.17 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea is sourced from PubChem (CID 83110624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).