N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide

C14H14F2N2O2S — CID 43458468

IUPACN-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1N)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-18(9-10-4-2-3-5-13(10)17)21(19,20)14-8-11(15)6-7-12(14)16/h2-8H,9,17H2,1H3
InChIKeyAAYBWUFXIBQIGE-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.37
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide

N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide (PubChem CID 43458468) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide
PubChem CID43458468
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1N)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2O2S/c1-18(9-10-4-2-3-5-13(10)17)21(19,20)14-8-11(15)6-7-12(14)16/h2-8H,9,17H2,1H3
InChIKeyAAYBWUFXIBQIGE-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide (CID 43458468) is N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide is CN(Cc1ccccc1N)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide?
The InChIKey is AAYBWUFXIBQIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-18(9-10-4-2-3-5-13(10)17)21(19,20)14-8-11(15)6-7-12(14)16/h2-8H,9,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide?
N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43458468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).