5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide

C11H17BrN2O3S — CID 65048630

IUPAC5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCOCC(NS(=O)(=O)c1cncc(Br)c1)C(C)C
InChIInChI=1S/C11H17BrN2O3S/c1-8(2)11(7-17-3)14-18(15,16)10-4-9(12)5-13-6-10/h4-6,8,11,14H,7H2,1-3H3
InChIKeyRUEPKJYEYKTPCD-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.79
Rot. Bonds6

About 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 65048630) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID65048630
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCOCC(NS(=O)(=O)c1cncc(Br)c1)C(C)C
InChIInChI=1S/C11H17BrN2O3S/c1-8(2)11(7-17-3)14-18(15,16)10-4-9(12)5-13-6-10/h4-6,8,11,14H,7H2,1-3H3
InChIKeyRUEPKJYEYKTPCD-UHFFFAOYSA-N
XLogP1.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
2,4-dibromo-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048629
2,5-dibromo-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 80707880
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
3-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 81258377
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047904
5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide
CID 115650475
5-[(1-methoxy-3-methylbutan-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614543
3-(aminomethyl)-N-(1-methoxy-3-methylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106068777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide (CID 65048630) is 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide is COCC(NS(=O)(=O)c1cncc(Br)c1)C(C)C.
What is the InChIKey of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is RUEPKJYEYKTPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-8(2)11(7-17-3)14-18(15,16)10-4-9(12)5-13-6-10/h4-6,8,11,14H,7H2,1-3H3.
What are the key properties of 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide?
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 65048630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).