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

C12H18F2N2O2S — CID 61468709

IUPAC4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1c(F)cc(N)cc1F)C(C)C
InChIInChI=1S/C12H18F2N2O2S/c1-4-11(7(2)3)16-19(17,18)12-9(13)5-8(15)6-10(12)14/h5-7,11,16H,4,15H2,1-3H3
InChIKeyUQEYMFMFGROUPZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.26
Rot. Bonds5

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

4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide (PubChem CID 61468709) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide
PubChem CID61468709
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1c(F)cc(N)cc1F)C(C)C
InChIInChI=1S/C12H18F2N2O2S/c1-4-11(7(2)3)16-19(17,18)12-9(13)5-8(15)6-10(12)14/h5-7,11,16H,4,15H2,1-3H3
InChIKeyUQEYMFMFGROUPZ-UHFFFAOYSA-N
XLogP2.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.26
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

4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 79588447
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527
2,4,6-trifluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 103836214
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
5-amino-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbenzenesulfonamide
CID 80646566
5-amino-4-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 104889698
2-amino-5-bromo-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106491907
4-amino-N-but-2-ynyl-2,6-difluorobenzenesulfonamide
CID 113464456
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
3-amino-4-fluoro-2,6-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 107325562
4-amino-3-methoxy-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 81438617

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide (CID 61468709) is 4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide is CCC(NS(=O)(=O)c1c(F)cc(N)cc1F)C(C)C.
What is the InChIKey of 4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is UQEYMFMFGROUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-4-11(7(2)3)16-19(17,18)12-9(13)5-8(15)6-10(12)14/h5-7,11,16H,4,15H2,1-3H3.
What are the key properties of 4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide?
4-amino-2,6-difluoro-N-(2-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 2.26, 5 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-(2-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 61468709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).