N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide

C11H14BrFN2O2S — CID 103308349

IUPACN-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)c1ncccc1F
InChIInChI=1S/C11H14BrFN2O2S/c12-8-11(5-1-2-6-11)15-18(16,17)10-9(13)4-3-7-14-10/h3-4,7,15H,1-2,5-6,8H2
InChIKeyRRFNQDMFYWYCAQ-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.21
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide

N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 103308349) has the molecular formula C11H14BrFN2O2S and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
PubChem CID103308349
Molecular FormulaC11H14BrFN2O2S
Molecular Weight337.21 g/mol
Exact Mass335.99
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NC1(CBr)CCCC1)c1ncccc1F
InChIInChI=1S/C11H14BrFN2O2S/c12-8-11(5-1-2-6-11)15-18(16,17)10-9(13)4-3-7-14-10/h3-4,7,15H,1-2,5-6,8H2
InChIKeyRRFNQDMFYWYCAQ-UHFFFAOYSA-N
XLogP2.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-sulfonamide
CID 103300487
N-[1-(aminomethyl)cyclobutyl]-3-fluoropyridine-2-sulfonamide
CID 103308604
3-fluoro-N-(1-methylcyclobutyl)pyridine-2-sulfonamide
CID 103300453
3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300099
1-[(3-fluoro-2-pyridinyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 103298837
3-fluoro-N-[(1-hydroxycyclopentyl)methyl]pyridine-2-sulfonamide
CID 103300168
3-fluoro-N-[(1-methylsulfanylcyclopentyl)methyl]pyridine-2-sulfonamide
CID 114115960
1-[(3-fluoro-2-pyridinyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 103302859
N-[1-(bromomethyl)cyclopentyl]benzenesulfonamide
CID 114297176
N-(1-bromo-2-methylpropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308364
N-(4-bromopentan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103308397
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoropyridine-2-sulfonamide
CID 107233950

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide (CID 103308349) is N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide is O=S(=O)(NC1(CBr)CCCC1)c1ncccc1F.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is RRFNQDMFYWYCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S/c12-8-11(5-1-2-6-11)15-18(16,17)10-9(13)4-3-7-14-10/h3-4,7,15H,1-2,5-6,8H2.
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide?
N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 337.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103308349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).