5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide

C10H14BrClN2O3S — CID 115755260

IUPAC5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O3S/c1-2-8(3-4-15)14-18(16,17)9-5-7(11)6-13-10(9)12/h5-6,8,14-15H,2-4H2,1H3
InChIKeyCIXWGXRUQUBWSS-UHFFFAOYSA-N
MW357.66 g/mol
LogP1.94
Rot. Bonds6

About 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide (PubChem CID 115755260) has the molecular formula C10H14BrClN2O3S and a molecular weight of 357.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide
PubChem CID115755260
Molecular FormulaC10H14BrClN2O3S
Molecular Weight357.66 g/mol
Exact Mass355.96
IUPAC Name5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide
SMILESCCC(CCO)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O3S/c1-2-8(3-4-15)14-18(16,17)9-5-7(11)6-13-10(9)12/h5-6,8,14-15H,2-4H2,1H3
InChIKeyCIXWGXRUQUBWSS-UHFFFAOYSA-N
XLogP1.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.66
LogP ≤ 51.94
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-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115899532
5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide
CID 106898775
5-bromo-2-chloro-N-(4-hydroxypentan-2-yl)pyridine-3-sulfonamide
CID 113376188
5-bromo-2-ethoxy-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 115755202
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 114009086
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide (CID 115755260) is 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide is CCC(CCO)NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide?
The InChIKey is CIXWGXRUQUBWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O3S/c1-2-8(3-4-15)14-18(16,17)9-5-7(11)6-13-10(9)12/h5-6,8,14-15H,2-4H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide has a molecular weight of 357.66 g/mol, XLogP of 1.94, 6 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-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115755260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).