2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide

C12H11BrClN3O3S — CID 22515906

IUPAC2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H11BrClN3O3S/c1-20-10-3-2-8(14)5-9(10)17-21(18,19)11-4-7(13)6-16-12(11)15/h2-6,17H,1H3,(H2,15,16)
InChIKeyAMKDYKQWLPBWIX-UHFFFAOYSA-N
MW392.66 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide (PubChem CID 22515906) has the molecular formula C12H11BrClN3O3S and a molecular weight of 392.66 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
PubChem CID22515906
Molecular FormulaC12H11BrClN3O3S
Molecular Weight392.66 g/mol
Exact Mass390.94
IUPAC Name2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H11BrClN3O3S/c1-20-10-3-2-8(14)5-9(10)17-21(18,19)11-4-7(13)6-16-12(11)15/h2-6,17H,1H3,(H2,15,16)
InChIKeyAMKDYKQWLPBWIX-UHFFFAOYSA-N
XLogP2.89
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.66
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide (CID 22515906) is 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is AMKDYKQWLPBWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O3S/c1-20-10-3-2-8(14)5-9(10)17-21(18,19)11-4-7(13)6-16-12(11)15/h2-6,17H,1H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 392.66 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).