5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide

C14H15FN2O3S — CID 28970045

IUPAC5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C14H15FN2O3S/c1-20-13-6-5-12(16)8-14(13)21(18,19)17-9-10-3-2-4-11(15)7-10/h2-8,17H,9,16H2,1H3
InChIKeyZZMHWIXKHURYTC-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.89
Rot. Bonds5

About 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide

5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 28970045) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID28970045
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C14H15FN2O3S/c1-20-13-6-5-12(16)8-14(13)21(18,19)17-9-10-3-2-4-11(15)7-10/h2-8,17H,9,16H2,1H3
InChIKeyZZMHWIXKHURYTC-UHFFFAOYSA-N
XLogP1.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.89
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 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide (CID 28970045) is 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCc1cccc(F)c1.
What is the InChIKey of 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is ZZMHWIXKHURYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-20-13-6-5-12(16)8-14(13)21(18,19)17-9-10-3-2-4-11(15)7-10/h2-8,17H,9,16H2,1H3.
What are the key properties of 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-fluorophenyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 28970045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).