5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide

C10H10BrClN2O2S — CID 106898775

IUPAC5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H10BrClN2O2S/c1-3-8(4-2)14-17(15,16)9-5-7(11)6-13-10(9)12/h1,5-6,8,14H,4H2,2H3
InChIKeyQTLKFRSQZXGYPN-UHFFFAOYSA-N
MW337.63 g/mol
LogP2.19
Rot. Bonds4

About 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide

5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide (PubChem CID 106898775) has the molecular formula C10H10BrClN2O2S and a molecular weight of 337.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide
PubChem CID106898775
Molecular FormulaC10H10BrClN2O2S
Molecular Weight337.63 g/mol
Exact Mass335.93
IUPAC Name5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide
SMILESC#CC(CC)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H10BrClN2O2S/c1-3-8(4-2)14-17(15,16)9-5-7(11)6-13-10(9)12/h1,5-6,8,14H,4H2,2H3
InChIKeyQTLKFRSQZXGYPN-UHFFFAOYSA-N
XLogP2.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide
CID 115755260
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(4-hydroxypentan-2-yl)pyridine-3-sulfonamide
CID 113376188
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide
CID 115767086
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide (CID 106898775) is 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide is C#CC(CC)NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide?
The InChIKey is QTLKFRSQZXGYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O2S/c1-3-8(4-2)14-17(15,16)9-5-7(11)6-13-10(9)12/h1,5-6,8,14H,4H2,2H3.
What are the key properties of 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide?
5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide has a molecular weight of 337.63 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 106898775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).