5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide

C9H12BrClN2O2S — CID 106846555

IUPAC5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCCCl)c1cncc(Br)c1
InChIInChI=1S/C9H12BrClN2O2S/c10-8-5-9(7-12-6-8)16(14,15)13-4-2-1-3-11/h5-7,13H,1-4H2
InChIKeyNSBPHDKDAOKRDA-UHFFFAOYSA-N
MW327.63 g/mol
LogP2.14
Rot. Bonds6

About 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide

5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide (PubChem CID 106846555) has the molecular formula C9H12BrClN2O2S and a molecular weight of 327.63 g/mol. Its IUPAC name is 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
PubChem CID106846555
Molecular FormulaC9H12BrClN2O2S
Molecular Weight327.63 g/mol
Exact Mass325.95
IUPAC Name5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCCCCl)c1cncc(Br)c1
InChIInChI=1S/C9H12BrClN2O2S/c10-8-5-9(7-12-6-8)16(14,15)13-4-2-1-3-11/h5-7,13H,1-4H2
InChIKeyNSBPHDKDAOKRDA-UHFFFAOYSA-N
XLogP2.14
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.63
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
5-bromo-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107319453
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359
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-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 76848572
5-bromo-N-(2-pyrrol-1-ylethyl)pyridine-3-sulfonamide
CID 103731692
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
5-bromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114758635
5-bromo-N-(2-methoxyethyl)pyridine-3-sulfonamide;5-bromopyridine-3-sulfonyl chloride
CID 161347039
5-bromo-N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030603
5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
CID 106118270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide (CID 106846555) is 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide is O=S(=O)(NCCCCCl)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide?
The InChIKey is NSBPHDKDAOKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O2S/c10-8-5-9(7-12-6-8)16(14,15)13-4-2-1-3-11/h5-7,13H,1-4H2.
What are the key properties of 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide?
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide has a molecular weight of 327.63 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106846555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).