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

C10H15BrN2O3S — CID 64557037

IUPAC5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-3-10(2,7-14)13-17(15,16)9-4-8(11)5-12-6-9/h4-6,13-14H,3,7H2,1-2H3
InChIKeyFASKUSYXVPTNOE-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.28
Rot. Bonds5

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

5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 64557037) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID64557037
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Name5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(C)(CO)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C10H15BrN2O3S/c1-3-10(2,7-14)13-17(15,16)9-4-8(11)5-12-6-9/h4-6,13-14H,3,7H2,1-2H3
InChIKeyFASKUSYXVPTNOE-UHFFFAOYSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 62043738
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169573
5-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 62521778
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)-2-methoxybenzenesulfonamide
CID 64557804
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
3-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 64557210

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide (CID 64557037) is 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide is CCC(C)(CO)NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is FASKUSYXVPTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S/c1-3-10(2,7-14)13-17(15,16)9-4-8(11)5-12-6-9/h4-6,13-14H,3,7H2,1-2H3.
What are the key properties of 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide?
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 323.21 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64557037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).