5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide

C12H20BrN3O2S — CID 118298898

IUPAC5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide
SMILESCc1c(Br)cnc(N(C)C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H20BrN3O2S/c1-8-9(13)7-14-11(16(5)6)10(8)19(17,18)15-12(2,3)4/h7,15H,1-6H3
InChIKeyLZUFZUNLBODOFG-UHFFFAOYSA-N
MW350.28 g/mol
LogP2.30
Rot. Bonds3

About 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide

5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide (PubChem CID 118298898) has the molecular formula C12H20BrN3O2S and a molecular weight of 350.28 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide
PubChem CID118298898
Molecular FormulaC12H20BrN3O2S
Molecular Weight350.28 g/mol
Exact Mass349.05
IUPAC Name5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide
SMILESCc1c(Br)cnc(N(C)C)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C12H20BrN3O2S/c1-8-9(13)7-14-11(16(5)6)10(8)19(17,18)15-12(2,3)4/h7,15H,1-6H3
InChIKeyLZUFZUNLBODOFG-UHFFFAOYSA-N
XLogP2.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293529
5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine
CID 144889480
N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
CID 71116272
5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine
CID 148672068
3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine
CID 155980084
2-amino-N-tert-butylpyrimidine-5-sulfonamide
CID 62148276
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
CID 79589176
3-bromo-N-tert-butyl-6-methoxypyridine-2-sulfonamide
CID 171548942
N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 3320329
N-tert-butyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62150012
2-amino-N-tert-butyl-4-pyrimidin-5-ylpyridine-3-sulfonamide
CID 90273034
2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 137443476

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide (CID 118298898) is 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide is Cc1c(Br)cnc(N(C)C)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide?
The InChIKey is LZUFZUNLBODOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2S/c1-8-9(13)7-14-11(16(5)6)10(8)19(17,18)15-12(2,3)4/h7,15H,1-6H3.
What are the key properties of 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide?
5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide has a molecular weight of 350.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide is sourced from PubChem (CID 118298898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).