5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide

C12H18BrClN2O2S — CID 106118270

IUPAC5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H18BrClN2O2S/c1-2-3-10(4-5-14)7-16-19(17,18)12-6-11(13)8-15-9-12/h6,8-10,16H,2-5,7H2,1H3
InChIKeyJWUKFGBJIPVEGX-UHFFFAOYSA-N
MW369.71 g/mol
LogP3.17
Rot. Bonds8

About 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide

5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide (PubChem CID 106118270) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
PubChem CID106118270
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C12H18BrClN2O2S/c1-2-3-10(4-5-14)7-16-19(17,18)12-6-11(13)8-15-9-12/h6,8-10,16H,2-5,7H2,1H3
InChIKeyJWUKFGBJIPVEGX-UHFFFAOYSA-N
XLogP3.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 53.17
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-(2-bromo-3-ethylpentyl)pyridine-3-sulfonamide
CID 106288581
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114758635
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
CID 78980153
N-[2-(2-chloroethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 114145871
5-bromo-N-ethoxypyridine-3-sulfonamide
CID 64973872
5-bromo-N-[2-(2-chloroethyl)pentyl]-3-methyltriazole-4-sulfonamide
CID 106118248
5-bromo-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 65110693
N-(2-amino-2-cyclopropylethyl)-5-bromopyridine-3-sulfonamide;hydrochloride
CID 120582741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide (CID 106118270) is 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide is CCCC(CCCl)CNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide?
The InChIKey is JWUKFGBJIPVEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O2S/c1-2-3-10(4-5-14)7-16-19(17,18)12-6-11(13)8-15-9-12/h6,8-10,16H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide?
5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide has a molecular weight of 369.71 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106118270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).