N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide

C12H8BrN3O2S — CID 103775599

IUPACN-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C12H8BrN3O2S/c13-12-5-4-10(8-15-12)16-19(17,18)11-3-1-2-9(6-11)7-14/h1-6,8,16H
InChIKeyPIANCZSLOCNZGF-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.52
Rot. Bonds3

About N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide

N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide (PubChem CID 103775599) has the molecular formula C12H8BrN3O2S and a molecular weight of 338.19 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
PubChem CID103775599
Molecular FormulaC12H8BrN3O2S
Molecular Weight338.19 g/mol
Exact Mass336.95
IUPAC NameN-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Br)nc2)c1
InChIInChI=1S/C12H8BrN3O2S/c13-12-5-4-10(8-15-12)16-19(17,18)11-3-1-2-9(6-11)7-14/h1-6,8,16H
InChIKeyPIANCZSLOCNZGF-UHFFFAOYSA-N
XLogP2.52
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-3-pyridinyl)-3-methoxybenzenesulfonamide
CID 103775610
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
CID 66905539
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
3-[2-[(6-bromo-3-pyridinyl)oxy]ethylsulfonyl]benzonitrile
CID 107396844
N-(6-bromo-3-pyridinyl)-2-chloropyrimidine-5-sulfonamide
CID 114051668
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
CID 3790516
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide (CID 103775599) is N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(Br)nc2)c1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide?
The InChIKey is PIANCZSLOCNZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2S/c13-12-5-4-10(8-15-12)16-19(17,18)11-3-1-2-9(6-11)7-14/h1-6,8,16H.
What are the key properties of N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide?
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide has a molecular weight of 338.19 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 103775599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).