3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide

C15H23BrN4O3S — CID 46272049

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C15H23BrN4O3S/c1-10-2-4-12(5-3-10)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)
InChIKeyUIEKBEOPFZKBLM-UHFFFAOYSA-N
MW419.35 g/mol
LogP1.79
Rot. Bonds6

About 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide (PubChem CID 46272049) 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-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
PubChem CID46272049
Molecular FormulaC15H23BrN4O3S
Molecular Weight419.35 g/mol
Exact Mass418.07
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C15H23BrN4O3S/c1-10-2-4-12(5-3-10)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)
InChIKeyUIEKBEOPFZKBLM-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

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Related Compounds

2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-cyclopropylacetamide
CID 62147179
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 22516465
2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272050
2-amino-5-bromo-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272025
3-[(5-amino-2,3-dimethylphenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 79379980
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide
CID 4086585
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 46272055
3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114587
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
ethyl (3S)-1-[3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]propanoyl]piperidine-3-carboxylate
CID 92504863
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide (CID 46272049) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide?
The InChIKey is UIEKBEOPFZKBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O3S/c1-10-2-4-12(5-3-10)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-(4-methylcyclohexyl)propanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-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-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 46272049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).