N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide

C9H12F2N2O2S — CID 62102958

IUPACN-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)C(F)F
InChIInChI=1S/C9H12F2N2O2S/c1-2-13(16(14,15)9(10)11)8-6-4-3-5-7(8)12/h3-6,9H,2,12H2,1H3
InChIKeyAMQLCGVFOKDFTH-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.65
Rot. Bonds4

About N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide

N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 62102958) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID62102958
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC NameN-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)C(F)F
InChIInChI=1S/C9H12F2N2O2S/c1-2-13(16(14,15)9(10)11)8-6-4-3-5-7(8)12/h3-6,9H,2,12H2,1H3
InChIKeyAMQLCGVFOKDFTH-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.65
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)-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide (CID 62102958) is N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide is CCN(c1ccccc1N)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is AMQLCGVFOKDFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-2-13(16(14,15)9(10)11)8-6-4-3-5-7(8)12/h3-6,9H,2,12H2,1H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide?
N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 250.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62102958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).