5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide

C15H23BrN2O2S — CID 78982765

IUPAC5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCC(C)CCN(C1CCCC1)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-12(2)7-8-18(14-5-3-4-6-14)21(19,20)15-9-13(16)10-17-11-15/h9-12,14H,3-8H2,1-2H3
InChIKeyOEIZTZFIVSNCEM-UHFFFAOYSA-N
MW375.33 g/mol
LogP3.82
Rot. Bonds6

About 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide

5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide (PubChem CID 78982765) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide
PubChem CID78982765
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCC(C)CCN(C1CCCC1)S(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C15H23BrN2O2S/c1-12(2)7-8-18(14-5-3-4-6-14)21(19,20)15-9-13(16)10-17-11-15/h9-12,14H,3-8H2,1-2H3
InChIKeyOEIZTZFIVSNCEM-UHFFFAOYSA-N
XLogP3.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767
N-cyclopentyl-N-(3-methylbutyl)-1H-imidazole-5-sulfonamide
CID 78996134
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
CID 81265308
5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide
CID 79701921
N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102873353
N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide
CID 78974350
3-amino-N-cyclopentyl-N-(3-methylbutyl)pyridine-2-sulfonamide
CID 103306540
6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 115602563
N-(3-aminopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102874343
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide (CID 78982765) is 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide is CC(C)CCN(C1CCCC1)S(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The InChIKey is OEIZTZFIVSNCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-12(2)7-8-18(14-5-3-4-6-14)21(19,20)15-9-13(16)10-17-11-15/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide has a molecular weight of 375.33 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopentyl-N-(3-methylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 78982765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).