2-amino-5-(trifluoromethylsulfonyl)benzamide

C8H7F3N2O3S — CID 68515848

IUPAC2-amino-5-(trifluoromethylsulfonyl)benzamide
SMILESNC(=O)c1cc(S(=O)(=O)C(F)(F)F)ccc1N
InChIInChI=1S/C8H7F3N2O3S/c9-8(10,11)17(15,16)4-1-2-6(12)5(3-4)7(13)14/h1-3H,12H2,(H2,13,14)
InChIKeyAJOMNRHKDRJDQS-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.66
Rot. Bonds2

About 2-amino-5-(trifluoromethylsulfonyl)benzamide

2-amino-5-(trifluoromethylsulfonyl)benzamide (PubChem CID 68515848) has the molecular formula C8H7F3N2O3S and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-amino-5-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name2-amino-5-(trifluoromethylsulfonyl)benzamide
PubChem CID68515848
Molecular FormulaC8H7F3N2O3S
Molecular Weight268.22 g/mol
Exact Mass268.01
IUPAC Name2-amino-5-(trifluoromethylsulfonyl)benzamide
SMILESNC(=O)c1cc(S(=O)(=O)C(F)(F)F)ccc1N
InChIInChI=1S/C8H7F3N2O3S/c9-8(10,11)17(15,16)4-1-2-6(12)5(3-4)7(13)14/h1-3H,12H2,(H2,13,14)
InChIKeyAJOMNRHKDRJDQS-UHFFFAOYSA-N
XLogP0.66
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.66
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 2-amino-5-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 2-amino-5-(trifluoromethylsulfonyl)benzamide (CID 68515848) is 2-amino-5-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 2-amino-5-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 2-amino-5-(trifluoromethylsulfonyl)benzamide is NC(=O)c1cc(S(=O)(=O)C(F)(F)F)ccc1N.
What is the InChIKey of 2-amino-5-(trifluoromethylsulfonyl)benzamide?
The InChIKey is AJOMNRHKDRJDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3S/c9-8(10,11)17(15,16)4-1-2-6(12)5(3-4)7(13)14/h1-3H,12H2,(H2,13,14).
What are the key properties of 2-amino-5-(trifluoromethylsulfonyl)benzamide?
2-amino-5-(trifluoromethylsulfonyl)benzamide has a molecular weight of 268.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 68515848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).