N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide

C9H11F3N2O2S — CID 61319180

IUPACN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-17(15,16)14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4,14H,5,13H2,1H3
InChIKeyDETNRUGXJUJMOA-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.54
Rot. Bonds3

About N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 61319180) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID61319180
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN)cc1C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c1-17(15,16)14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4,14H,5,13H2,1H3
InChIKeyDETNRUGXJUJMOA-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide (CID 61319180) is N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CN)cc1C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is DETNRUGXJUJMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-17(15,16)14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4,14H,5,13H2,1H3.
What are the key properties of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 268.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 61319180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).