N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide

C12H16BrFN2O2S — CID 103308267

IUPACN-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(c1ncccc1F)N(CCBr)C1CCCC1
InChIInChI=1S/C12H16BrFN2O2S/c13-7-9-16(10-4-1-2-5-10)19(17,18)12-11(14)6-3-8-15-12/h3,6,8,10H,1-2,4-5,7,9H2
InChIKeyIZFMLZABLWXVBN-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.55
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide

N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide (PubChem CID 103308267) has the molecular formula C12H16BrFN2O2S and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide
PubChem CID103308267
Molecular FormulaC12H16BrFN2O2S
Molecular Weight351.24 g/mol
Exact Mass350.01
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(c1ncccc1F)N(CCBr)C1CCCC1
InChIInChI=1S/C12H16BrFN2O2S/c13-7-9-16(10-4-1-2-5-10)19(17,18)12-11(14)6-3-8-15-12/h3,6,8,10H,1-2,4-5,7,9H2
InChIKeyIZFMLZABLWXVBN-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide (CID 103308267) is N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide is O=S(=O)(c1ncccc1F)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide?
The InChIKey is IZFMLZABLWXVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2S/c13-7-9-16(10-4-1-2-5-10)19(17,18)12-11(14)6-3-8-15-12/h3,6,8,10H,1-2,4-5,7,9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide?
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide has a molecular weight of 351.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103308267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).