N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide

C8H10BrClN2O2S — CID 166636744

IUPACN-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnc(Br)c(Cl)c1
InChIInChI=1S/C8H10BrClN2O2S/c1-5(2)15(13,14)12-6-3-7(10)8(9)11-4-6/h3-5,12H,1-2H3
InChIKeyRQQNBILZJROXIB-UHFFFAOYSA-N
MW313.60 g/mol
LogP2.65
Rot. Bonds3

About N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide

N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide (PubChem CID 166636744) has the molecular formula C8H10BrClN2O2S and a molecular weight of 313.60 g/mol. Its IUPAC name is N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide
PubChem CID166636744
Molecular FormulaC8H10BrClN2O2S
Molecular Weight313.60 g/mol
Exact Mass311.93
IUPAC NameN-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cnc(Br)c(Cl)c1
InChIInChI=1S/C8H10BrClN2O2S/c1-5(2)15(13,14)12-6-3-7(10)8(9)11-4-6/h3-5,12H,1-2H3
InChIKeyRQQNBILZJROXIB-UHFFFAOYSA-N
XLogP2.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)propane-2-sulfonamide
CID 103744914
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
N-(6-chloro-3-pyridinyl)propane-2-sulfonamide
CID 57157565
N-(2-bromo-4-pyridinyl)propane-2-sulfonamide
CID 130699381
2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 60858307
N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide
CID 63000379
N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide
CID 62999282
2-chloro-4-(propan-2-ylsulfonylamino)benzamide
CID 62997643
CID 159570698
CID 159570698
N-(6-bromo-5-methyl-3-pyridinyl)-4-chloropyridine-3-sulfonamide
CID 104952510
N-(2-bromo-6-chlorophenyl)propane-2-sulfonamide
CID 171393220
N-(1H-pyrazol-4-yl)propane-2-sulfonamide
CID 60865307

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide?
The IUPAC name of N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide (CID 166636744) is N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide.
What is the SMILES notation for N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide?
The canonical SMILES for N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cnc(Br)c(Cl)c1.
What is the InChIKey of N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide?
The InChIKey is RQQNBILZJROXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S/c1-5(2)15(13,14)12-6-3-7(10)8(9)11-4-6/h3-5,12H,1-2H3.
What are the key properties of N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide?
N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide has a molecular weight of 313.60 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-5-chloro-3-pyridinyl)propane-2-sulfonamide is sourced from PubChem (CID 166636744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).