N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide

C8H10F2N2O2S — CID 28606493

IUPACN-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide
SMILESNCc1cccc(NS(=O)(=O)C(F)F)c1
InChIInChI=1S/C8H10F2N2O2S/c9-8(10)15(13,14)12-7-3-1-2-6(4-7)5-11/h1-4,8,12H,5,11H2
InChIKeyMGJNFRSWRIIPIS-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.11
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide

N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide (PubChem CID 28606493) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide
PubChem CID28606493
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC NameN-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide
SMILESNCc1cccc(NS(=O)(=O)C(F)F)c1
InChIInChI=1S/C8H10F2N2O2S/c9-8(10)15(13,14)12-7-3-1-2-6(4-7)5-11/h1-4,8,12H,5,11H2
InChIKeyMGJNFRSWRIIPIS-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide (CID 28606493) is N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide is NCc1cccc(NS(=O)(=O)C(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide?
The InChIKey is MGJNFRSWRIIPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c9-8(10)15(13,14)12-7-3-1-2-6(4-7)5-11/h1-4,8,12H,5,11H2.
What are the key properties of N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide?
N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide has a molecular weight of 236.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28606493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).