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

C13H13FN2O2S — CID 4657583

IUPAC5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c1-9-6-7-10(15)8-13(9)19(17,18)16-12-5-3-2-4-11(12)14/h2-8,16H,15H2,1H3
InChIKeyLVPMQCCUOVKUJA-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

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

5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 4657583) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID4657583
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c1-9-6-7-10(15)8-13(9)19(17,18)16-12-5-3-2-4-11(12)14/h2-8,16H,15H2,1H3
InChIKeyLVPMQCCUOVKUJA-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.52
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 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide (CID 4657583) is 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is LVPMQCCUOVKUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-6-7-10(15)8-13(9)19(17,18)16-12-5-3-2-4-11(12)14/h2-8,16H,15H2,1H3.
What are the key properties of 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide?
5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 4657583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).