2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide

C12H20BrN3O2S — CID 62153864

IUPAC2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H20BrN3O2S/c1-3-4-5-6-9(2)16-19(17,18)11-7-10(13)8-15-12(11)14/h7-9,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyUEZKGMOSQJFMDA-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.67
Rot. Bonds7

About 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide

2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide (PubChem CID 62153864) has the molecular formula C12H20BrN3O2S and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
PubChem CID62153864
Molecular FormulaC12H20BrN3O2S
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC Name2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H20BrN3O2S/c1-3-4-5-6-9(2)16-19(17,18)11-7-10(13)8-15-12(11)14/h7-9,16H,3-6H2,1-2H3,(H2,14,15)
InChIKeyUEZKGMOSQJFMDA-UHFFFAOYSA-N
XLogP2.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-sulfonamide
CID 104854801
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 115748656
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 62153701
2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
CID 63994409
3-amino-4-bromo-5-chloro-2-fluoro-N-heptan-2-ylbenzenesulfonamide
CID 103077309
2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
CID 62198326
3-amino-N-heptan-2-yl-2,5-dimethylbenzenesulfonamide
CID 79889741
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
2-amino-5-bromo-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 22515915
2-amino-5-chloro-N-octan-2-ylbenzenesulfonamide
CID 63402410

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide (CID 62153864) is 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide is CCCCCC(C)NS(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide?
The InChIKey is UEZKGMOSQJFMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2S/c1-3-4-5-6-9(2)16-19(17,18)11-7-10(13)8-15-12(11)14/h7-9,16H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide?
2-amino-5-bromo-N-heptan-2-ylpyridine-3-sulfonamide has a molecular weight of 350.28 g/mol, XLogP of 2.67, 7 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-heptan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 62153864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).