2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide

C13H12F2N2O2S — CID 43452412

IUPAC2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-3-2-4-12(16)13(8)20(18,19)17-11-6-9(14)5-10(15)7-11/h2-7,17H,16H2,1H3
InChIKeyAVQROLHIGXEBHD-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.66
Rot. Bonds3

About 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide

2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide (PubChem CID 43452412) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
PubChem CID43452412
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-3-2-4-12(16)13(8)20(18,19)17-11-6-9(14)5-10(15)7-11/h2-7,17H,16H2,1H3
InChIKeyAVQROLHIGXEBHD-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.66
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-amino-N-(2-bromo-4,6-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452545
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125702
2-amino-6-chloro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62810748
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide (CID 43452412) is 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide?
The InChIKey is AVQROLHIGXEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-8-3-2-4-12(16)13(8)20(18,19)17-11-6-9(14)5-10(15)7-11/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide?
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).