N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide

C9H12F2N2O2S — CID 43200301

IUPACN-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide
SMILESCC(N)c1ccccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C9H12F2N2O2S/c1-6(12)7-4-2-3-5-8(7)13-16(14,15)9(10)11/h2-6,9,13H,12H2,1H3
InChIKeyLQKFFMWAJOSAJL-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide

N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide (PubChem CID 43200301) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide
PubChem CID43200301
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC NameN-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide
SMILESCC(N)c1ccccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C9H12F2N2O2S/c1-6(12)7-4-2-3-5-8(7)13-16(14,15)9(10)11/h2-6,9,13H,12H2,1H3
InChIKeyLQKFFMWAJOSAJL-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide (CID 43200301) is N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide is CC(N)c1ccccc1NS(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide?
The InChIKey is LQKFFMWAJOSAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-6(12)7-4-2-3-5-8(7)13-16(14,15)9(10)11/h2-6,9,13H,12H2,1H3.
What are the key properties of N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide?
N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide has a molecular weight of 250.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43200301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).