5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide

C11H18BrN5O2S — CID 83022745

IUPAC5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H18BrN5O2S/c1-13-11-10(7-9(12)8-14-11)20(18,19)15-17-5-3-16(2)4-6-17/h7-8,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyAHFBMBDIPWNFNM-UHFFFAOYSA-N
MW364.27 g/mol
LogP0.33
Rot. Bonds4

About 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 83022745) has the molecular formula C11H18BrN5O2S and a molecular weight of 364.27 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID83022745
Molecular FormulaC11H18BrN5O2S
Molecular Weight364.27 g/mol
Exact Mass363.04
IUPAC Name5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H18BrN5O2S/c1-13-11-10(7-9(12)8-14-11)20(18,19)15-17-5-3-16(2)4-6-17/h7-8,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyAHFBMBDIPWNFNM-UHFFFAOYSA-N
XLogP0.33
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-hydrazinyl-N-piperidin-1-ylpyridine-3-sulfonamide
CID 83025411
2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83023744
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78909287
5-bromo-2-(methylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 79356421
5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
CID 62149891
5-bromo-2-hydrazinyl-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
CID 61299121
5-bromo-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63616444
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylpyridin-2-amine
CID 62142967

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide (CID 83022745) is 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NN1CCN(C)CC1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is AHFBMBDIPWNFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5O2S/c1-13-11-10(7-9(12)8-14-11)20(18,19)15-17-5-3-16(2)4-6-17/h7-8,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 364.27 g/mol, XLogP of 0.33, 4 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-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 83022745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).