2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide

C11H13F3N2O3S — CID 15118086

IUPAC2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O3S/c1-16(6-10(15)17)20(18,19)7-8-3-2-4-9(5-8)11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,17)
InChIKeyCSYLNWNAKRUPAX-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.95
Rot. Bonds5

About 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide

2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide (PubChem CID 15118086) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
PubChem CID15118086
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
SMILESCN(CC(N)=O)S(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O3S/c1-16(6-10(15)17)20(18,19)7-8-3-2-4-9(5-8)11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,17)
InChIKeyCSYLNWNAKRUPAX-UHFFFAOYSA-N
XLogP0.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The IUPAC name of 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide (CID 15118086) is 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide is CN(CC(N)=O)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
The InChIKey is CSYLNWNAKRUPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-16(6-10(15)17)20(18,19)7-8-3-2-4-9(5-8)11(12,13)14/h2-5H,6-7H2,1H3,(H2,15,17).
What are the key properties of 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide?
2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide has a molecular weight of 310.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide is sourced from PubChem (CID 15118086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).