2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide

C15H17FN2O2S — CID 103170991

IUPAC2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccccc2F)c1N
InChIInChI=1S/C15H17FN2O2S/c1-10-7-8-11(2)15(14(10)17)21(19,20)18-9-12-5-3-4-6-13(12)16/h3-8,18H,9,17H2,1-2H3
InChIKeyQMENQXVDSXAMLO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.50
Rot. Bonds4

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

2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide (PubChem CID 103170991) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide
PubChem CID103170991
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccccc2F)c1N
InChIInChI=1S/C15H17FN2O2S/c1-10-7-8-11(2)15(14(10)17)21(19,20)18-9-12-5-3-4-6-13(12)16/h3-8,18H,9,17H2,1-2H3
InChIKeyQMENQXVDSXAMLO-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.50
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)methyl]-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide (CID 103170991) is 2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2F)c1N.
What is the InChIKey of 2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide?
The InChIKey is QMENQXVDSXAMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-7-8-11(2)15(14(10)17)21(19,20)18-9-12-5-3-4-6-13(12)16/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide?
2-amino-N-[(2-fluorophenyl)methyl]-3,6-dimethylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.50, 4 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)methyl]-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103170991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).