6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide

C13H11Cl3N2O2S — CID 26948560

IUPAC6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1Cl)c1ccc(Cl)nc1
InChIInChI=1S/C13H11Cl3N2O2S/c14-10-2-1-9(12(15)7-10)5-6-18-21(19,20)11-3-4-13(16)17-8-11/h1-4,7-8,18H,5-6H2
InChIKeyDDDMBGOYSDADTJ-UHFFFAOYSA-N
MW365.67 g/mol
LogP3.56
Rot. Bonds5

About 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide

6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 26948560) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID26948560
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1Cl)c1ccc(Cl)nc1
InChIInChI=1S/C13H11Cl3N2O2S/c14-10-2-1-9(12(15)7-10)5-6-18-21(19,20)11-3-4-13(16)17-8-11/h1-4,7-8,18H,5-6H2
InChIKeyDDDMBGOYSDADTJ-UHFFFAOYSA-N
XLogP3.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide
CID 110312503
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxybenzenesulfonamide
CID 81264913
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
CID 54944076
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
CID 28533546
5-chloro-N-[2-(2,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 113098447
2,4-dichloro-N'-[(6-chloro-3-pyridinyl)sulfonyl]benzohydrazide
CID 4729935
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979112
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide (CID 26948560) is 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCc1ccc(Cl)cc1Cl)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is DDDMBGOYSDADTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c14-10-2-1-9(12(15)7-10)5-6-18-21(19,20)11-3-4-13(16)17-8-11/h1-4,7-8,18H,5-6H2.
What are the key properties of 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide?
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 365.67 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 26948560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).