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

C8H10BrClN2O2S — CID 65030603

IUPAC5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(CCl)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C8H10BrClN2O2S/c1-6(3-10)12-15(13,14)8-2-7(9)4-11-5-8/h2,4-6,12H,3H2,1H3
InChIKeyGRKNCBFLGQKNBN-UHFFFAOYSA-N
MW313.60 g/mol
LogP1.75
Rot. Bonds4

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

5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 65030603) has the molecular formula C8H10BrClN2O2S and a molecular weight of 313.60 g/mol. Its IUPAC name is 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
PubChem CID65030603
Molecular FormulaC8H10BrClN2O2S
Molecular Weight313.60 g/mol
Exact Mass311.93
IUPAC Name5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(CCl)NS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C8H10BrClN2O2S/c1-6(3-10)12-15(13,14)8-2-7(9)4-11-5-8/h2,4-6,12H,3H2,1H3
InChIKeyGRKNCBFLGQKNBN-UHFFFAOYSA-N
XLogP1.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65048630
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
5-bromo-N-hex-5-yn-3-ylpyridine-3-sulfonamide
CID 115650475
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
3-[(5-bromo-3-pyridinyl)sulfonylamino]pentanethioamide
CID 55101589
5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
CID 106118270
5-bromo-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide (CID 65030603) is 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide is CC(CCl)NS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is GRKNCBFLGQKNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2O2S/c1-6(3-10)12-15(13,14)8-2-7(9)4-11-5-8/h2,4-6,12H,3H2,1H3.
What are the key properties of 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide?
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 313.60 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 65030603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).