6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide

C12H8BrClN4O2S — CID 107801188

IUPAC6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C12H8BrClN4O2S/c13-8-2-1-7(5-15)11(3-8)18-21(19,20)9-4-10(14)12(16)17-6-9/h1-4,6,18H,(H2,16,17)
InChIKeyCQJOKQOIOSIQML-UHFFFAOYSA-N
MW387.65 g/mol
LogP2.75
Rot. Bonds3

About 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide

6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide (PubChem CID 107801188) has the molecular formula C12H8BrClN4O2S and a molecular weight of 387.65 g/mol. Its IUPAC name is 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide
PubChem CID107801188
Molecular FormulaC12H8BrClN4O2S
Molecular Weight387.65 g/mol
Exact Mass385.92
IUPAC Name6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide
SMILESN#Cc1ccc(Br)cc1NS(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C12H8BrClN4O2S/c13-8-2-1-7(5-15)11(3-8)18-21(19,20)9-4-10(14)12(16)17-6-9/h1-4,6,18H,(H2,16,17)
InChIKeyCQJOKQOIOSIQML-UHFFFAOYSA-N
XLogP2.75
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide (CID 107801188) is 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide is N#Cc1ccc(Br)cc1NS(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide?
The InChIKey is CQJOKQOIOSIQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O2S/c13-8-2-1-7(5-15)11(3-8)18-21(19,20)9-4-10(14)12(16)17-6-9/h1-4,6,18H,(H2,16,17).
What are the key properties of 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide?
6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide has a molecular weight of 387.65 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-bromo-2-cyanophenyl)-5-chloropyridine-3-sulfonamide is sourced from PubChem (CID 107801188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).