3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide

C15H23BrN4O3S — CID 24791909

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C15H23BrN4O3S/c1-10-4-2-3-5-12(10)20-14(21)6-7-19-24(22,23)13-8-11(16)9-18-15(13)17/h8-10,12,19H,2-7H2,1H3,(H2,17,18)(H,20,21)
InChIKeyGZCVGXUZKBNWBN-UHFFFAOYSA-N
MW419.35 g/mol
LogP1.79
Rot. Bonds6

About 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide (PubChem CID 24791909) has the molecular formula C15H23BrN4O3S and a molecular weight of 419.35 g/mol. Its IUPAC name is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
PubChem CID24791909
Molecular FormulaC15H23BrN4O3S
Molecular Weight419.35 g/mol
Exact Mass418.07
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C15H23BrN4O3S/c1-10-4-2-3-5-12(10)20-14(21)6-7-19-24(22,23)13-8-11(16)9-18-15(13)17/h8-10,12,19H,2-7H2,1H3,(H2,17,18)(H,20,21)
InChIKeyGZCVGXUZKBNWBN-UHFFFAOYSA-N
XLogP1.79
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide (CID 24791909) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)CCNS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide?
The InChIKey is GZCVGXUZKBNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O3S/c1-10-4-2-3-5-12(10)20-14(21)6-7-19-24(22,23)13-8-11(16)9-18-15(13)17/h8-10,12,19H,2-7H2,1H3,(H2,17,18)(H,20,21).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide has a molecular weight of 419.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 24791909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).