N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide

C9H11F3N2O3S — CID 22506980

IUPACN-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCOc1c(N)cc(C(F)(F)F)cc1NS(C)(=O)=O
InChIInChI=1S/C9H11F3N2O3S/c1-17-8-6(13)3-5(9(10,11)12)4-7(8)14-18(2,15)16/h3-4,14H,13H2,1-2H3
InChIKeyLERLXXIEBXXATD-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.67
Rot. Bonds3

About N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide

N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 22506980) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID22506980
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC NameN-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCOc1c(N)cc(C(F)(F)F)cc1NS(C)(=O)=O
InChIInChI=1S/C9H11F3N2O3S/c1-17-8-6(13)3-5(9(10,11)12)4-7(8)14-18(2,15)16/h3-4,14H,13H2,1-2H3
InChIKeyLERLXXIEBXXATD-UHFFFAOYSA-N
XLogP1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide (CID 22506980) is N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide is COc1c(N)cc(C(F)(F)F)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is LERLXXIEBXXATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c1-17-8-6(13)3-5(9(10,11)12)4-7(8)14-18(2,15)16/h3-4,14H,13H2,1-2H3.
What are the key properties of N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide?
N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 284.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-methoxy-5-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 22506980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).