5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide

C11H18BrN3O4S2 — CID 79558831

IUPAC5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H18BrN3O4S2/c1-11(2,20(4,16)17)7-15-21(18,19)9-5-8(12)6-14-10(9)13-3/h5-6,15H,7H2,1-4H3,(H,13,14)
InChIKeyCJGFKXSEHSKATE-UHFFFAOYSA-N
MW400.32 g/mol
LogP0.99
Rot. Bonds6

About 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide (PubChem CID 79558831) has the molecular formula C11H18BrN3O4S2 and a molecular weight of 400.32 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
PubChem CID79558831
Molecular FormulaC11H18BrN3O4S2
Molecular Weight400.32 g/mol
Exact Mass398.99
IUPAC Name5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H18BrN3O4S2/c1-11(2,20(4,16)17)7-15-21(18,19)9-5-8(12)6-14-10(9)13-3/h5-6,15H,7H2,1-4H3,(H,13,14)
InChIKeyCJGFKXSEHSKATE-UHFFFAOYSA-N
XLogP0.99
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62149019
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
5-bromo-N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-sulfonamide
CID 61298746
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 63473639
5-bromo-N-(2,2-dimethylbutyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103464359
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407956
5-bromo-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62308940
5-bromo-2-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685572
5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79356421

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide (CID 79558831) is 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide?
The InChIKey is CJGFKXSEHSKATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O4S2/c1-11(2,20(4,16)17)7-15-21(18,19)9-5-8(12)6-14-10(9)13-3/h5-6,15H,7H2,1-4H3,(H,13,14).
What are the key properties of 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide has a molecular weight of 400.32 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 79558831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).