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

C11H18BrN3O2S — CID 115748656

IUPAC2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1N)C(C)(C)C
InChIInChI=1S/C11H18BrN3O2S/c1-7(11(2,3)4)15-18(16,17)9-5-8(12)6-14-10(9)13/h5-7,15H,1-4H3,(H2,13,14)
InChIKeyBDABSLLXKTZRSU-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.14
Rot. Bonds3

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

2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 115748656) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID115748656
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC Name2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)cnc1N)C(C)(C)C
InChIInChI=1S/C11H18BrN3O2S/c1-7(11(2,3)4)15-18(16,17)9-5-8(12)6-14-10(9)13/h5-7,15H,1-4H3,(H2,13,14)
InChIKeyBDABSLLXKTZRSU-UHFFFAOYSA-N
XLogP2.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
CID 104854801
2-amino-5-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-sulfonamide
CID 62158602
2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
CID 62153864
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 62156932
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 62152954
2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 55043444
2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
CID 63994409
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N-(2-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 103766525

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide (CID 115748656) is 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cc(Br)cnc1N)C(C)(C)C.
What is the InChIKey of 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is BDABSLLXKTZRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-7(11(2,3)4)15-18(16,17)9-5-8(12)6-14-10(9)13/h5-7,15H,1-4H3,(H2,13,14).
What are the key properties of 2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 336.26 g/mol, XLogP of 2.14, 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-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115748656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).