5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide

C13H12Cl2N2O3S — CID 826900

IUPAC5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H12Cl2N2O3S/c1-2-20-10-5-3-9(4-6-10)17-21(18,19)11-7-12(14)13(15)16-8-11/h3-8,17H,2H2,1H3
InChIKeyGZOFAFIGHQMKMJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.59
Rot. Bonds5

About 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide

5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide (PubChem CID 826900) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
PubChem CID826900
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C13H12Cl2N2O3S/c1-2-20-10-5-3-9(4-6-10)17-21(18,19)11-7-12(14)13(15)16-8-11/h3-8,17H,2H2,1H3
InChIKeyGZOFAFIGHQMKMJ-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

4-Chloro-3-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 609536
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
4-(3-Chlorophenoxy)-3-pyridinesulfonamide
CID 901268
5-chloro-2-ethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 1106588
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
4-butoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3239781
5-chloro-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3668507
5-chloro-2-ethoxy-N-(pyridin-3-yl)benzene-1-sulfonamide
CID 9267841
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide
CID 23515186
4-chloro-3-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 978045
3-chloro-4-fluoro-N-(6-methoxypyridin-3-yl)benzene-1-sulfonamide
CID 2471797
6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
CID 8933114

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide (CID 826900) is 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is GZOFAFIGHQMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-2-20-10-5-3-9(4-6-10)17-21(18,19)11-7-12(14)13(15)16-8-11/h3-8,17H,2H2,1H3.
What are the key properties of 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-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 5,6-dichloro-N-(4-ethoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 826900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).