3-anilino-N-(trifluoromethylsulfonyl)propanamide

C10H11F3N2O3S — CID 155621410

IUPAC3-anilino-N-(trifluoromethylsulfonyl)propanamide
SMILESO=C(CCNc1ccccc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)19(17,18)15-9(16)6-7-14-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,15,16)
InChIKeyPCIMJBPCKLLZED-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.45
Rot. Bonds5

About 3-anilino-N-(trifluoromethylsulfonyl)propanamide

3-anilino-N-(trifluoromethylsulfonyl)propanamide (PubChem CID 155621410) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 3-anilino-N-(trifluoromethylsulfonyl)propanamide.

Molecular Properties

Compound Name3-anilino-N-(trifluoromethylsulfonyl)propanamide
PubChem CID155621410
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name3-anilino-N-(trifluoromethylsulfonyl)propanamide
SMILESO=C(CCNc1ccccc1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)19(17,18)15-9(16)6-7-14-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,15,16)
InChIKeyPCIMJBPCKLLZED-UHFFFAOYSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-(trifluoromethylsulfonyl)propanamide?
The IUPAC name of 3-anilino-N-(trifluoromethylsulfonyl)propanamide (CID 155621410) is 3-anilino-N-(trifluoromethylsulfonyl)propanamide.
What is the SMILES notation for 3-anilino-N-(trifluoromethylsulfonyl)propanamide?
The canonical SMILES for 3-anilino-N-(trifluoromethylsulfonyl)propanamide is O=C(CCNc1ccccc1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-anilino-N-(trifluoromethylsulfonyl)propanamide?
The InChIKey is PCIMJBPCKLLZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)19(17,18)15-9(16)6-7-14-8-4-2-1-3-5-8/h1-5,14H,6-7H2,(H,15,16).
What are the key properties of 3-anilino-N-(trifluoromethylsulfonyl)propanamide?
3-anilino-N-(trifluoromethylsulfonyl)propanamide has a molecular weight of 296.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-(trifluoromethylsulfonyl)propanamide is sourced from PubChem (CID 155621410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).