2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide

C13H13FN2O3S — CID 19872460

IUPAC2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C13H13FN2O3S/c1-19-11-6-7-13(12(15)8-11)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3
InChIKeyBZDSYFZYWOJGFB-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.22
Rot. Bonds4

About 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide

2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 19872460) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
PubChem CID19872460
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C13H13FN2O3S/c1-19-11-6-7-13(12(15)8-11)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3
InChIKeyBZDSYFZYWOJGFB-UHFFFAOYSA-N
XLogP2.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide (CID 19872460) is 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(N)c1.
What is the InChIKey of 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is BZDSYFZYWOJGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-19-11-6-7-13(12(15)8-11)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3.
What are the key properties of 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide?
2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 19872460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).