5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide

C12H12BrClN4O3S — CID 86581034

IUPAC5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide
SMILESCN(C)c1ncc(S(=O)(=O)Nc2ncc(Cl)cc2O)cc1Br
InChIInChI=1S/C12H12BrClN4O3S/c1-18(2)12-9(13)4-8(6-16-12)22(20,21)17-11-10(19)3-7(14)5-15-11/h3-6,19H,1-2H3,(H,15,17)
InChIKeyVWBRIPVVBLNQIR-UHFFFAOYSA-N
MW407.68 g/mol
LogP2.46
Rot. Bonds4

About 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide

5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide (PubChem CID 86581034) has the molecular formula C12H12BrClN4O3S and a molecular weight of 407.68 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide
PubChem CID86581034
Molecular FormulaC12H12BrClN4O3S
Molecular Weight407.68 g/mol
Exact Mass405.95
IUPAC Name5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide
SMILESCN(C)c1ncc(S(=O)(=O)Nc2ncc(Cl)cc2O)cc1Br
InChIInChI=1S/C12H12BrClN4O3S/c1-18(2)12-9(13)4-8(6-16-12)22(20,21)17-11-10(19)3-7(14)5-15-11/h3-6,19H,1-2H3,(H,15,17)
InChIKeyVWBRIPVVBLNQIR-UHFFFAOYSA-N
XLogP2.46
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.68
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 86582215
N-(5-chloro-3-hydroxy-2-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 86582362
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
5-[(3,4-dichlorophenyl)sulfonylamino]-6-(dimethylamino)pyridine-3-carboxylic acid
CID 53056875
3-bromo-4-chloro-N-[6-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 106611697
5-bromo-6-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 4730084
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide
CID 10309892
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide (CID 86581034) is 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide is CN(C)c1ncc(S(=O)(=O)Nc2ncc(Cl)cc2O)cc1Br.
What is the InChIKey of 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide?
The InChIKey is VWBRIPVVBLNQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O3S/c1-18(2)12-9(13)4-8(6-16-12)22(20,21)17-11-10(19)3-7(14)5-15-11/h3-6,19H,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide?
5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide has a molecular weight of 407.68 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-3-hydroxy-2-pyridinyl)-6-(dimethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 86581034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).