5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide

C11H14BrN5O2S — CID 63295582

IUPAC5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCc1nccn1C
InChIInChI=1S/C11H14BrN5O2S/c1-13-11-9(5-8(12)6-15-11)20(18,19)16-7-10-14-3-4-17(10)2/h3-6,16H,7H2,1-2H3,(H,13,15)
InChIKeyOIEGFMQRORTWAJ-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.10
Rot. Bonds5

About 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide

5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 63295582) has the molecular formula C11H14BrN5O2S and a molecular weight of 360.24 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID63295582
Molecular FormulaC11H14BrN5O2S
Molecular Weight360.24 g/mol
Exact Mass359.01
IUPAC Name5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)NCc1nccn1C
InChIInChI=1S/C11H14BrN5O2S/c1-13-11-9(5-8(12)6-15-11)20(18,19)16-7-10-14-3-4-17(10)2/h3-6,16H,7H2,1-2H3,(H,13,15)
InChIKeyOIEGFMQRORTWAJ-UHFFFAOYSA-N
XLogP1.10
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
5-bromo-2-(methylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102907912
5-bromo-2-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 79558831
5-bromo-2-(methylamino)-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 55043938
2-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonylamino]acetamide
CID 62149019
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-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62308940
2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 107328926
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 63473639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide (CID 63295582) is 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)NCc1nccn1C.
What is the InChIKey of 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is OIEGFMQRORTWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2S/c1-13-11-9(5-8(12)6-15-11)20(18,19)16-7-10-14-3-4-17(10)2/h3-6,16H,7H2,1-2H3,(H,13,15).
What are the key properties of 5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide?
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 360.24 g/mol, XLogP of 1.10, 5 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-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63295582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).