N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide

C12H8BrN3O2S — CID 102671853

IUPACN-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1
InChIInChI=1S/C12H8BrN3O2S/c13-10-5-6-15-12(7-10)16-19(17,18)11-3-1-9(8-14)2-4-11/h1-7H,(H,15,16)
InChIKeyZOMFVBDLCNGGLU-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.52
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide

N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide (PubChem CID 102671853) has the molecular formula C12H8BrN3O2S and a molecular weight of 338.19 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
PubChem CID102671853
Molecular FormulaC12H8BrN3O2S
Molecular Weight338.19 g/mol
Exact Mass336.95
IUPAC NameN-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1
InChIInChI=1S/C12H8BrN3O2S/c13-10-5-6-15-12(7-10)16-19(17,18)11-3-1-9(8-14)2-4-11/h1-7H,(H,15,16)
InChIKeyZOMFVBDLCNGGLU-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

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Related Compounds

4-[(4-bromo-2-pyridinyl)sulfamoyl]benzamide
CID 102671827
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
CID 102822237
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
3-bromo-N-(4-bromo-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 102671955
N-(4-bromo-2-pyridinyl)-5-fluoropyridine-3-sulfonamide
CID 102671893
N-(4-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 86819051
N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674
5-bromo-N-(4-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 86819055
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide (CID 102671853) is N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccn2)cc1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide?
The InChIKey is ZOMFVBDLCNGGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2S/c13-10-5-6-15-12(7-10)16-19(17,18)11-3-1-9(8-14)2-4-11/h1-7H,(H,15,16).
What are the key properties of N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide?
N-(4-bromo-2-pyridinyl)-4-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-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 102671853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).