2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide

C12H6Br3N3O2S — CID 106595571

IUPAC2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H6Br3N3O2S/c13-7-4-8(14)12(9(15)5-7)18-21(19,20)11-2-1-3-17-10(11)6-16/h1-5,18H
InChIKeyOLZWCRHDUQBLJE-UHFFFAOYSA-N
MW495.98 g/mol
LogP4.04
Rot. Bonds3

About 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide

2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide (PubChem CID 106595571) has the molecular formula C12H6Br3N3O2S and a molecular weight of 495.98 g/mol. Its IUPAC name is 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
PubChem CID106595571
Molecular FormulaC12H6Br3N3O2S
Molecular Weight495.98 g/mol
Exact Mass492.77
IUPAC Name2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H6Br3N3O2S/c13-7-4-8(14)12(9(15)5-7)18-21(19,20)11-2-1-3-17-10(11)6-16/h1-5,18H
InChIKeyOLZWCRHDUQBLJE-UHFFFAOYSA-N
XLogP4.04
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.98
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106595530
2-cyano-N-(2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 106595467
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-cyanopyridine-3-sulfonamide
CID 106598332
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 107697867
2-cyano-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 106596248
2-hydroxy-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 81241100

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide (CID 106595571) is 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide?
The InChIKey is OLZWCRHDUQBLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br3N3O2S/c13-7-4-8(14)12(9(15)5-7)18-21(19,20)11-2-1-3-17-10(11)6-16/h1-5,18H.
What are the key properties of 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide?
2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide has a molecular weight of 495.98 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,4,6-tribromophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106595571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).