2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide

C13H12Cl2N2O3S — CID 61041107

IUPAC2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-2-20-12-4-3-9(7-11(12)14)17-21(18,19)10-5-6-16-13(15)8-10/h3-8,17H,2H2,1H3
InChIKeyUUJLTRRIRGQGGQ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide

2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide (PubChem CID 61041107) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
PubChem CID61041107
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-2-20-12-4-3-9(7-11(12)14)17-21(18,19)10-5-6-16-13(15)8-10/h3-8,17H,2H2,1H3
InChIKeyUUJLTRRIRGQGGQ-UHFFFAOYSA-N
XLogP3.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61003549
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
N-(1,3-benzodioxol-5-yl)-3-chloro-4-ethoxybenzenesulfonamide
CID 6491906
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
CID 61125908
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
CID 8851611
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide (CID 61041107) is 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccnc(Cl)c2)cc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide?
The InChIKey is UUJLTRRIRGQGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-2-20-12-4-3-9(7-11(12)14)17-21(18,19)10-5-6-16-13(15)8-10/h3-8,17H,2H2,1H3.
What are the key properties of 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide?
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide has a molecular weight of 347.22 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61041107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).