6-(3-bromopentan-2-yl)pyridine-3-sulfonamide

C10H15BrN2O2S — CID 63559497

IUPAC6-(3-bromopentan-2-yl)pyridine-3-sulfonamide
SMILESCCC(Br)C(C)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C10H15BrN2O2S/c1-3-9(11)7(2)10-5-4-8(6-13-10)16(12,14)15/h4-7,9H,3H2,1-2H3,(H2,12,14,15)
InChIKeyAMEKPOZPTFEDHL-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.01
Rot. Bonds4

About 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide

6-(3-bromopentan-2-yl)pyridine-3-sulfonamide (PubChem CID 63559497) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-bromopentan-2-yl)pyridine-3-sulfonamide
PubChem CID63559497
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name6-(3-bromopentan-2-yl)pyridine-3-sulfonamide
SMILESCCC(Br)C(C)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C10H15BrN2O2S/c1-3-9(11)7(2)10-5-4-8(6-13-10)16(12,14)15/h4-7,9H,3H2,1-2H3,(H2,12,14,15)
InChIKeyAMEKPOZPTFEDHL-UHFFFAOYSA-N
XLogP2.01
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.01
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

6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide
CID 63200486
ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate
CID 104571391
6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide
CID 63214990
3-(3-bromopentan-2-yl)-6-methylpyridazine
CID 63560840
6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 55161438
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
6-(2-chloro-3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 55163586
6-(2-propoxyethoxy)pyridine-3-sulfonamide
CID 112572750
6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
methyl 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate
CID 62004980
4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
CID 55162014

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide (CID 63559497) is 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide is CCC(Br)C(C)c1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide?
The InChIKey is AMEKPOZPTFEDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-3-9(11)7(2)10-5-4-8(6-13-10)16(12,14)15/h4-7,9H,3H2,1-2H3,(H2,12,14,15).
What are the key properties of 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide?
6-(3-bromopentan-2-yl)pyridine-3-sulfonamide has a molecular weight of 307.21 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromopentan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 63559497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).