5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide

C11H17BrN2O3S — CID 65110693

IUPAC5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O3S/c1-3-11(15,4-2)8-14-18(16,17)10-5-9(12)6-13-7-10/h5-7,14-15H,3-4,8H2,1-2H3
InChIKeyFIHITCSYEHPVDE-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.67
Rot. Bonds6

About 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide

5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide (PubChem CID 65110693) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
PubChem CID65110693
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
SMILESCCC(O)(CC)CNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H17BrN2O3S/c1-3-11(15,4-2)8-14-18(16,17)10-5-9(12)6-13-7-10/h5-7,14-15H,3-4,8H2,1-2H3
InChIKeyFIHITCSYEHPVDE-UHFFFAOYSA-N
XLogP1.67
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64557037
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65106876
4-amino-3-bromo-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65102662
3-[(5-bromo-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 113411019
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
N-(2-ethyl-2-hydroxybutyl)-4-iodobenzenesulfonamide
CID 65112960

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide (CID 65110693) is 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide is CCC(O)(CC)CNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
The InChIKey is FIHITCSYEHPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-3-11(15,4-2)8-14-18(16,17)10-5-9(12)6-13-7-10/h5-7,14-15H,3-4,8H2,1-2H3.
What are the key properties of 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide?
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 65110693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).