3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide

C12H17FN2O2S — CID 103300099

IUPAC3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ncccc2F)CCCC1
InChIInChI=1S/C12H17FN2O2S/c1-12(6-2-3-7-12)9-15-18(16,17)11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyRMEVJPDCPHCDLS-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds4

About 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide

3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide (PubChem CID 103300099) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
PubChem CID103300099
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide
SMILESCC1(CNS(=O)(=O)c2ncccc2F)CCCC1
InChIInChI=1S/C12H17FN2O2S/c1-12(6-2-3-7-12)9-15-18(16,17)11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKeyRMEVJPDCPHCDLS-UHFFFAOYSA-N
XLogP2.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide (CID 103300099) is 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide is CC1(CNS(=O)(=O)c2ncccc2F)CCCC1.
What is the InChIKey of 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide?
The InChIKey is RMEVJPDCPHCDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-12(6-2-3-7-12)9-15-18(16,17)11-10(13)5-4-8-14-11/h4-5,8,15H,2-3,6-7,9H2,1H3.
What are the key properties of 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide?
3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide has a molecular weight of 272.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1-methylcyclopentyl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103300099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).