N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide

C11H14ClFN2O2S — CID 114179771

IUPACN-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCCC1CCl)c1ncccc1F
InChIInChI=1S/C11H14ClFN2O2S/c12-7-8-3-1-5-10(8)15-18(16,17)11-9(13)4-2-6-14-11/h2,4,6,8,10,15H,1,3,5,7H2
InChIKeyILDIWTJIRBZPOS-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.91
Rot. Bonds4

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

N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 114179771) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
PubChem CID114179771
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCCC1CCl)c1ncccc1F
InChIInChI=1S/C11H14ClFN2O2S/c12-7-8-3-1-5-10(8)15-18(16,17)11-9(13)4-2-6-14-11/h2,4,6,8,10,15H,1,3,5,7H2
InChIKeyILDIWTJIRBZPOS-UHFFFAOYSA-N
XLogP1.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.91
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

3-fluoro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-2-sulfonamide
CID 106360576
N-(2-bromocyclopentyl)-3-fluoropyridine-2-sulfonamide
CID 103302197
N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine
CID 106365501
3-fluoro-N-(2-methylcyclopropyl)pyridine-2-sulfonamide
CID 103300003
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-2-sulfonamide
CID 103299013
3-fluoro-N-(oxan-3-yl)pyridine-2-sulfonamide
CID 103300080
N-[2-(chloromethyl)cyclopentyl]-2-pyridin-2-ylethanesulfonamide
CID 114179778
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(chloromethyl)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
CID 106367830
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide (CID 114179771) is N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide is O=S(=O)(NC1CCCC1CCl)c1ncccc1F.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is ILDIWTJIRBZPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-7-8-3-1-5-10(8)15-18(16,17)11-9(13)4-2-6-14-11/h2,4,6,8,10,15H,1,3,5,7H2.
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide?
N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 292.76 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 114179771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).