6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide

C12H7Br2N3O2S — CID 115602177

IUPAC6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cn1
InChIInChI=1S/C12H7Br2N3O2S/c13-8-1-4-11(14)12(5-8)17-20(18,19)10-3-2-9(6-15)16-7-10/h1-5,7,17H
InChIKeyNMFULPFXAJELRM-UHFFFAOYSA-N
MW417.08 g/mol
LogP3.28
Rot. Bonds3

About 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide

6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide (PubChem CID 115602177) has the molecular formula C12H7Br2N3O2S and a molecular weight of 417.08 g/mol. Its IUPAC name is 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
PubChem CID115602177
Molecular FormulaC12H7Br2N3O2S
Molecular Weight417.08 g/mol
Exact Mass414.86
IUPAC Name6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cn1
InChIInChI=1S/C12H7Br2N3O2S/c13-8-1-4-11(14)12(5-8)17-20(18,19)10-3-2-9(6-15)16-7-10/h1-5,7,17H
InChIKeyNMFULPFXAJELRM-UHFFFAOYSA-N
XLogP3.28
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.08
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 115685368
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
CID 114612856
N-(2,5-dibromophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159373
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide (CID 115602177) is 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cn1.
What is the InChIKey of 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide?
The InChIKey is NMFULPFXAJELRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2N3O2S/c13-8-1-4-11(14)12(5-8)17-20(18,19)10-3-2-9(6-15)16-7-10/h1-5,7,17H.
What are the key properties of 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide?
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide has a molecular weight of 417.08 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).