2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide

C14H15FN2O2S — CID 103170987

IUPAC2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1N
InChIInChI=1S/C14H15FN2O2S/c1-9-7-8-10(2)14(13(9)16)20(18,19)17-12-6-4-3-5-11(12)15/h3-8,17H,16H2,1-2H3
InChIKeyVTRIKEUNLFLAFE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103170987) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103170987
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1N
InChIInChI=1S/C14H15FN2O2S/c1-9-7-8-10(2)14(13(9)16)20(18,19)17-12-6-4-3-5-11(12)15/h3-8,17H,16H2,1-2H3
InChIKeyVTRIKEUNLFLAFE-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide (CID 103170987) is 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2F)c1N.
What is the InChIKey of 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is VTRIKEUNLFLAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-7-8-10(2)14(13(9)16)20(18,19)17-12-6-4-3-5-11(12)15/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluorophenyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103170987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).