5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide

C9H12BrClN2O3S — CID 65035841

IUPAC5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H12BrClN2O3S/c1-6(5-14)3-13-17(15,16)8-2-7(10)4-12-9(8)11/h2,4,6,13-14H,3,5H2,1H3
InChIKeyGBBQHHIOAUNDHD-UHFFFAOYSA-N
MW343.63 g/mol
LogP1.40
Rot. Bonds5

About 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide (PubChem CID 65035841) has the molecular formula C9H12BrClN2O3S and a molecular weight of 343.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
PubChem CID65035841
Molecular FormulaC9H12BrClN2O3S
Molecular Weight343.63 g/mol
Exact Mass341.94
IUPAC Name5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H12BrClN2O3S/c1-6(5-14)3-13-17(15,16)8-2-7(10)4-12-9(8)11/h2,4,6,13-14H,3,5H2,1H3
InChIKeyGBBQHHIOAUNDHD-UHFFFAOYSA-N
XLogP1.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-chloro-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 61072361
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-(4-hydroxypentan-2-yl)pyridine-3-sulfonamide
CID 113376188
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313207
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide (CID 65035841) is 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide is CC(CO)CNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
The InChIKey is GBBQHHIOAUNDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O3S/c1-6(5-14)3-13-17(15,16)8-2-7(10)4-12-9(8)11/h2,4,6,13-14H,3,5H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide has a molecular weight of 343.63 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 65035841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).