3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide

C9H11F3N2O2S — CID 143619149

IUPAC3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(N)cc(S(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O2S/c1-14(16-2)9(15)6-3-7(13)5-8(4-6)17(10,11)12/h3-5H,13H2,1-2H3
InChIKeyLRRRQDNJVNSSRE-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.72
Rot. Bonds3

About 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide

3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide (PubChem CID 143619149) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide.

Molecular Properties

Compound Name3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide
PubChem CID143619149
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(N)cc(S(F)(F)F)c1
InChIInChI=1S/C9H11F3N2O2S/c1-14(16-2)9(15)6-3-7(13)5-8(4-6)17(10,11)12/h3-5H,13H2,1-2H3
InChIKeyLRRRQDNJVNSSRE-UHFFFAOYSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide?
The IUPAC name of 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide (CID 143619149) is 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide.
What is the SMILES notation for 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide?
The canonical SMILES for 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide is CON(C)C(=O)c1cc(N)cc(S(F)(F)F)c1.
What is the InChIKey of 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide?
The InChIKey is LRRRQDNJVNSSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-14(16-2)9(15)6-3-7(13)5-8(4-6)17(10,11)12/h3-5H,13H2,1-2H3.
What are the key properties of 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide?
3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide has a molecular weight of 268.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methoxy-N-methyl-5-(trifluoro-λ4-sulfanyl)benzamide is sourced from PubChem (CID 143619149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).