5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide

C13H12F2N2O2S — CID 79896534

IUPAC5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-12(15)6-10(16)7-13(8)20(18,19)17-11-4-2-3-9(14)5-11/h2-7,17H,16H2,1H3
InChIKeyCSWDZZPXYIPVTC-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.66
Rot. Bonds3

About 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide

5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 79896534) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID79896534
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-12(15)6-10(16)7-13(8)20(18,19)17-11-4-2-3-9(14)5-11/h2-7,17H,16H2,1H3
InChIKeyCSWDZZPXYIPVTC-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

5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
4-amino-N-(3-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79589093
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
4-amino-2,6-dibromo-N-(3-fluorophenyl)benzenesulfonamide
CID 43257495
2-amino-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 29053554
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide (CID 79896534) is 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is CSWDZZPXYIPVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-8-12(15)6-10(16)7-13(8)20(18,19)17-11-4-2-3-9(14)5-11/h2-7,17H,16H2,1H3.
What are the key properties of 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide?
5-amino-3-fluoro-N-(3-fluorophenyl)-2-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 5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79896534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).