5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide

C12H8BrCl3N2O2S — CID 3838244

IUPAC5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cc(Cl)ccc1Cl)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H8BrCl3N2O2S/c13-10-4-9(6-17-12(10)16)21(19,20)18-5-7-3-8(14)1-2-11(7)15/h1-4,6,18H,5H2
InChIKeyLGUJHMNVRIEGAO-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.28
Rot. Bonds4

About 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide

5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide (PubChem CID 3838244) has the molecular formula C12H8BrCl3N2O2S and a molecular weight of 430.54 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide
PubChem CID3838244
Molecular FormulaC12H8BrCl3N2O2S
Molecular Weight430.54 g/mol
Exact Mass427.86
IUPAC Name5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1cc(Cl)ccc1Cl)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C12H8BrCl3N2O2S/c13-10-4-9(6-17-12(10)16)21(19,20)18-5-7-3-8(14)1-2-11(7)15/h1-4,6,18H,5H2
InChIKeyLGUJHMNVRIEGAO-UHFFFAOYSA-N
XLogP4.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide (CID 3838244) is 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide is O=S(=O)(NCc1cc(Cl)ccc1Cl)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide?
The InChIKey is LGUJHMNVRIEGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl3N2O2S/c13-10-4-9(6-17-12(10)16)21(19,20)18-5-7-3-8(14)1-2-11(7)15/h1-4,6,18H,5H2.
What are the key properties of 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide?
5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 430.54 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 3838244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).