5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

C13H19FN2O2S — CID 63823107

IUPAC5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2cc(N)ccc2F)CCCC1
InChIInChI=1S/C13H19FN2O2S/c1-13(6-2-3-7-13)9-16-19(17,18)12-8-10(15)4-5-11(12)14/h4-5,8,16H,2-3,6-7,9,15H2,1H3
InChIKeyCFBNAOAVMLSPTP-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.27
Rot. Bonds4

About 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 63823107) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID63823107
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2cc(N)ccc2F)CCCC1
InChIInChI=1S/C13H19FN2O2S/c1-13(6-2-3-7-13)9-16-19(17,18)12-8-10(15)4-5-11(12)14/h4-5,8,16H,2-3,6-7,9,15H2,1H3
InChIKeyCFBNAOAVMLSPTP-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (CID 63823107) is 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2cc(N)ccc2F)CCCC1.
What is the InChIKey of 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is CFBNAOAVMLSPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-13(6-2-3-7-13)9-16-19(17,18)12-8-10(15)4-5-11(12)14/h4-5,8,16H,2-3,6-7,9,15H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63823107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).