N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide

C12H9BrN4O2S — CID 114612856

IUPACN-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2Br)cn1
InChIInChI=1S/C12H9BrN4O2S/c13-11-5-8(15)1-4-12(11)17-20(18,19)10-3-2-9(6-14)16-7-10/h1-5,7,17H,15H2
InChIKeyZMBPQCBABZXSCY-UHFFFAOYSA-N
MW353.20 g/mol
LogP2.10
Rot. Bonds3

About N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide

N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide (PubChem CID 114612856) has the molecular formula C12H9BrN4O2S and a molecular weight of 353.20 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
PubChem CID114612856
Molecular FormulaC12H9BrN4O2S
Molecular Weight353.20 g/mol
Exact Mass351.96
IUPAC NameN-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2Br)cn1
InChIInChI=1S/C12H9BrN4O2S/c13-11-5-8(15)1-4-12(11)17-20(18,19)10-3-2-9(6-14)16-7-10/h1-5,7,17H,15H2
InChIKeyZMBPQCBABZXSCY-UHFFFAOYSA-N
XLogP2.10
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
6-cyano-N-(2,5-dibromophenyl)pyridine-3-sulfonamide
CID 115602177
N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 115685368
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
CID 114612850
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-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845
N-(2,4-dibromophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61477635

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide (CID 114612856) is N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2Br)cn1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide?
The InChIKey is ZMBPQCBABZXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O2S/c13-11-5-8(15)1-4-12(11)17-20(18,19)10-3-2-9(6-14)16-7-10/h1-5,7,17H,15H2.
What are the key properties of N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide?
N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide has a molecular weight of 353.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 114612856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).