2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide

C12H17FN2O2S — CID 61364584

IUPAC2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(F)ccc2N)CCCC1
InChIInChI=1S/C12H17FN2O2S/c1-12(6-2-3-7-12)15-18(16,17)11-8-9(13)4-5-10(11)14/h4-5,8,15H,2-3,6-7,14H2,1H3
InChIKeyTUQXNJMBMHJKJE-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.02
Rot. Bonds3

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

2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide (PubChem CID 61364584) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
PubChem CID61364584
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(F)ccc2N)CCCC1
InChIInChI=1S/C12H17FN2O2S/c1-12(6-2-3-7-12)15-18(16,17)11-8-9(13)4-5-10(11)14/h4-5,8,15H,2-3,6-7,14H2,1H3
InChIKeyTUQXNJMBMHJKJE-UHFFFAOYSA-N
XLogP2.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 115765501
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687486
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
3-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide
CID 81466289
2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485262
2-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81245733
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide
CID 79179658
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide (CID 61364584) is 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide is CC1(NS(=O)(=O)c2cc(F)ccc2N)CCCC1.
What is the InChIKey of 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
The InChIKey is TUQXNJMBMHJKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-12(6-2-3-7-12)15-18(16,17)11-8-9(13)4-5-10(11)14/h4-5,8,15H,2-3,6-7,14H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide?
2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 61364584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).