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

C14H22BrN3O2S — CID 62159209

IUPAC5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)C1CCCCC1C
InChIInChI=1S/C14H22BrN3O2S/c1-10-6-4-5-7-12(10)18(3)21(19,20)13-8-11(15)9-17-14(13)16-2/h8-10,12H,4-7H2,1-3H3,(H,16,17)
InChIKeyCJXHMRGQKMLFMI-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.09
Rot. Bonds4

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

5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 62159209) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
PubChem CID62159209
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCNc1ncc(Br)cc1S(=O)(=O)N(C)C1CCCCC1C
InChIInChI=1S/C14H22BrN3O2S/c1-10-6-4-5-7-12(10)18(3)21(19,20)13-8-11(15)9-17-14(13)16-2/h8-10,12H,4-7H2,1-3H3,(H,16,17)
InChIKeyCJXHMRGQKMLFMI-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158876
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 62150356
5-bromo-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 63706424
5-bromo-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 63727213
5-bromo-N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62145501
5-bromo-N-cyclopropyl-2-(6,10-dioxaspiro[4.5]decan-8-ylamino)-N-methylpyridine-3-sulfonamide
CID 167814002
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
5-bromo-N-(cyclopentylmethyl)-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63656152
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
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-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide (CID 62159209) is 5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide is CNc1ncc(Br)cc1S(=O)(=O)N(C)C1CCCCC1C.
What is the InChIKey of 5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is CJXHMRGQKMLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-10-6-4-5-7-12(10)18(3)21(19,20)13-8-11(15)9-17-14(13)16-2/h8-10,12H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide?
5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 376.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62159209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).