4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide

C12H16F2N2O2S — CID 114542865

IUPAC4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(F)cc(N)cc2F)C1
InChIInChI=1S/C12H16F2N2O2S/c1-7-2-3-9(4-7)16-19(17,18)12-10(13)5-8(15)6-11(12)14/h5-7,9,16H,2-4,15H2,1H3
InChIKeyIFPYHLRKWLUXST-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.01
Rot. Bonds3

About 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide

4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114542865) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114542865
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(F)cc(N)cc2F)C1
InChIInChI=1S/C12H16F2N2O2S/c1-7-2-3-9(4-7)16-19(17,18)12-10(13)5-8(15)6-11(12)14/h5-7,9,16H,2-4,15H2,1H3
InChIKeyIFPYHLRKWLUXST-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.01
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

2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545218
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
3-amino-4-fluoro-5-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542872
3-fluoro-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545307
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
5-amino-4-bromo-2-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114626345
2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543624
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
3-amino-4-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542903
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030948

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114542865) is 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2c(F)cc(N)cc2F)C1.
What is the InChIKey of 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is IFPYHLRKWLUXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-7-2-3-9(4-7)16-19(17,18)12-10(13)5-8(15)6-11(12)14/h5-7,9,16H,2-4,15H2,1H3.
What are the key properties of 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide?
4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114542865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).