N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide

C11H14Cl2N2O3S — CID 113339035

IUPACN-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-2-3-5-18-6-4-15-19(16,17)9-7-10(12)11(13)14-8-9/h2,7-8,15H,1,3-6H2
InChIKeyLZDLKYBLMSMCKM-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.26
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide

N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide (PubChem CID 113339035) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide
PubChem CID113339035
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC NameN-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-2-3-5-18-6-4-15-19(16,17)9-7-10(12)11(13)14-8-9/h2,7-8,15H,1,3-6H2
InChIKeyLZDLKYBLMSMCKM-UHFFFAOYSA-N
XLogP2.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide 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

5,6-dichloro-N-[2-(3-methylbutoxy)ethyl]pyridine-3-sulfonamide
CID 64608604
3-amino-N-(2-but-3-enoxyethyl)-5-chloro-4-methylbenzenesulfonamide
CID 106392768
4-N-(2-but-3-enoxyethyl)benzene-1,4-disulfonamide
CID 103854020
3-amino-N-(2-but-3-enoxyethyl)-4-fluorobenzenesulfonamide
CID 106392666
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]ethylurea
CID 83110624
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
N-[3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]propyl]acetamide
CID 110309462
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
N-but-3-en-2-yl-5,6-dichloropyridine-3-sulfonamide
CID 115692267
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide (CID 113339035) is N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide is C=CCCOCCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide?
The InChIKey is LZDLKYBLMSMCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-2-3-5-18-6-4-15-19(16,17)9-7-10(12)11(13)14-8-9/h2,7-8,15H,1,3-6H2.
What are the key properties of N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide?
N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide has a molecular weight of 325.22 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-5,6-dichloropyridine-3-sulfonamide is sourced from PubChem (CID 113339035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).