2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide

C13H20BrN3O2S — CID 22515902

IUPAC2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(Br)cnc2N)C1C
InChIInChI=1S/C13H20BrN3O2S/c1-8-4-3-5-11(9(8)2)17-20(18,19)12-6-10(14)7-16-13(12)15/h6-9,11,17H,3-5H2,1-2H3,(H2,15,16)
InChIKeyGYIWDYRRVHWRII-UHFFFAOYSA-N
MW362.29 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 22515902) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide
PubChem CID22515902
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cc(Br)cnc2N)C1C
InChIInChI=1S/C13H20BrN3O2S/c1-8-4-3-5-11(9(8)2)17-20(18,19)12-6-10(14)7-16-13(12)15/h6-9,11,17H,3-5H2,1-2H3,(H2,15,16)
InChIKeyGYIWDYRRVHWRII-UHFFFAOYSA-N
XLogP2.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide (CID 22515902) is 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide is CC1CCCC(NS(=O)(=O)c2cc(Br)cnc2N)C1C.
What is the InChIKey of 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is GYIWDYRRVHWRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-8-4-3-5-11(9(8)2)17-20(18,19)12-6-10(14)7-16-13(12)15/h6-9,11,17H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 362.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,3-dimethylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).