5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide

C12H9Cl3N2O2S — CID 64623963

IUPAC5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O2S/c13-9-3-1-8(2-4-9)6-17-20(18,19)10-5-11(14)12(15)16-7-10/h1-5,7,17H,6H2
InChIKeySKURWGJISPLDMP-UHFFFAOYSA-N
MW351.64 g/mol
LogP3.52
Rot. Bonds4

About 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide

5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide (PubChem CID 64623963) has the molecular formula C12H9Cl3N2O2S and a molecular weight of 351.64 g/mol. Its IUPAC name is 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
PubChem CID64623963
Molecular FormulaC12H9Cl3N2O2S
Molecular Weight351.64 g/mol
Exact Mass349.95
IUPAC Name5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O2S/c13-9-3-1-8(2-4-9)6-17-20(18,19)10-5-11(14)12(15)16-7-10/h1-5,7,17H,6H2
InChIKeySKURWGJISPLDMP-UHFFFAOYSA-N
XLogP3.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 53.52
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

5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 64606892
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 62162273
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide
CID 64602447
5,6-dichloro-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 64622728
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114955310
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide
CID 3838244

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide (CID 64623963) is 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1ccc(Cl)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is SKURWGJISPLDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O2S/c13-9-3-1-8(2-4-9)6-17-20(18,19)10-5-11(14)12(15)16-7-10/h1-5,7,17H,6H2.
What are the key properties of 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 351.64 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64623963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).