5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide

C13H19BrN2O3S — CID 160805742

IUPAC5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H19BrN2O3S/c1-9-3-5-11(6-4-9)16-20(17,18)12-7-10(14)8-15-13(12)19-2/h7-9,11,16H,3-6H2,1-2H3
InChIKeyOSNKFCPVIDQGNH-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.71
Rot. Bonds4

About 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide

5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide (PubChem CID 160805742) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
PubChem CID160805742
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H19BrN2O3S/c1-9-3-5-11(6-4-9)16-20(17,18)12-7-10(14)8-15-13(12)19-2/h7-9,11,16H,3-6H2,1-2H3
InChIKeyOSNKFCPVIDQGNH-UHFFFAOYSA-N
XLogP2.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide
CID 158233304
sodium;4-aminocyclohexan-1-ol;5-bromo-2-chloro-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;5-bromo-2-chloropyridin-3-amine;5-bromo-2-chloropyridine-3-sulfonyl chloride;5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide;tert-butyl-chloro-dimethylsilane;methane;methanol;methanolate;4-methylcyclohexan-1-amine
CID 163562011
5-(4-amino-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-(4-bromo-2,6-dichlorophenoxy)-N-cyclobutyl-2-methoxypyridine-3-sulfonamide
CID 161196012
5-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60660580
5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide
CID 71131413
5-bromo-2-chloro-N-(3-methylcyclobutyl)pyridine-3-sulfonamide
CID 115672191
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-N-cyclobutyl-2-hydrazinylpyridine-3-sulfonamide
CID 62414810
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
5-bromo-2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 61298927
5-amino-4-bromo-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963333
5-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methoxypyridine-3-sulfonamide
CID 126832864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide (CID 160805742) is 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide is COc1ncc(Br)cc1S(=O)(=O)NC1CCC(C)CC1.
What is the InChIKey of 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide?
The InChIKey is OSNKFCPVIDQGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-9-3-5-11(6-4-9)16-20(17,18)12-7-10(14)8-15-13(12)19-2/h7-9,11,16H,3-6H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide?
5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide has a molecular weight of 363.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(4-methylcyclohexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 160805742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).