3-[2-(trifluoromethylsulfonyl)anilino]propanamide

C10H11F3N2O3S — CID 43553664

IUPAC3-[2-(trifluoromethylsulfonyl)anilino]propanamide
SMILESNC(=O)CCNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)19(17,18)8-4-2-1-3-7(8)15-6-5-9(14)16/h1-4,15H,5-6H2,(H2,14,16)
InChIKeyJRDDVSIFLAWCQL-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.27
Rot. Bonds5

About 3-[2-(trifluoromethylsulfonyl)anilino]propanamide

3-[2-(trifluoromethylsulfonyl)anilino]propanamide (PubChem CID 43553664) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 3-[2-(trifluoromethylsulfonyl)anilino]propanamide.

Molecular Properties

Compound Name3-[2-(trifluoromethylsulfonyl)anilino]propanamide
PubChem CID43553664
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name3-[2-(trifluoromethylsulfonyl)anilino]propanamide
SMILESNC(=O)CCNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)19(17,18)8-4-2-1-3-7(8)15-6-5-9(14)16/h1-4,15H,5-6H2,(H2,14,16)
InChIKeyJRDDVSIFLAWCQL-UHFFFAOYSA-N
XLogP1.27
TPSA89.26 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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(trifluoromethylsulfonyl)anilino]ethyl carbamate
CID 83205222
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 107257686
methyl 6-[2-(trifluoromethylsulfonyl)anilino]hexanoate
CID 60597269
N-(3-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 65028628
2-methyl-N'-[2-(trifluoromethylsulfonyl)phenyl]pentane-1,5-diamine
CID 106155437
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
CID 133287951
N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427556
2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
CID 61362995

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethylsulfonyl)anilino]propanamide?
The IUPAC name of 3-[2-(trifluoromethylsulfonyl)anilino]propanamide (CID 43553664) is 3-[2-(trifluoromethylsulfonyl)anilino]propanamide.
What is the SMILES notation for 3-[2-(trifluoromethylsulfonyl)anilino]propanamide?
The canonical SMILES for 3-[2-(trifluoromethylsulfonyl)anilino]propanamide is NC(=O)CCNc1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethylsulfonyl)anilino]propanamide?
The InChIKey is JRDDVSIFLAWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)19(17,18)8-4-2-1-3-7(8)15-6-5-9(14)16/h1-4,15H,5-6H2,(H2,14,16).
What are the key properties of 3-[2-(trifluoromethylsulfonyl)anilino]propanamide?
3-[2-(trifluoromethylsulfonyl)anilino]propanamide has a molecular weight of 296.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethylsulfonyl)anilino]propanamide is sourced from PubChem (CID 43553664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).