2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide

C12H14BrN3O2S2 — CID 63295984

IUPAC2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H14BrN3O2S2/c1-8(5-10-3-2-4-19-10)16-20(17,18)11-6-9(13)7-15-12(11)14/h2-4,6-8,16H,5H2,1H3,(H2,14,15)
InChIKeyBNILLPPZURPRGT-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 63295984) has the molecular formula C12H14BrN3O2S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID63295984
Molecular FormulaC12H14BrN3O2S2
Molecular Weight376.30 g/mol
Exact Mass374.97
IUPAC Name2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H14BrN3O2S2/c1-8(5-10-3-2-4-19-10)16-20(17,18)11-6-9(13)7-15-12(11)14/h2-4,6-8,16H,5H2,1H3,(H2,14,15)
InChIKeyBNILLPPZURPRGT-UHFFFAOYSA-N
XLogP2.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
CID 104854801
2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
CID 62153864
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
4-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291622
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 63292014
5-amino-2-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291710
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 115748656
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63291970
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 79487909
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide (CID 63295984) is 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide is CC(Cc1cccs1)NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is BNILLPPZURPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S2/c1-8(5-10-3-2-4-19-10)16-20(17,18)11-6-9(13)7-15-12(11)14/h2-4,6-8,16H,5H2,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.40, 5 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-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 63295984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).