2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide

C13H17F3N2O3S — CID 8815605

IUPAC2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O3S/c1-9(2)17-12(19)8-18(3)22(20,21)11-7-5-4-6-10(11)13(14,15)16/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyGBYVNCIFHCTKGY-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.85
Rot. Bonds5

About 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide

2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 8815605) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
PubChem CID8815605
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O3S/c1-9(2)17-12(19)8-18(3)22(20,21)11-7-5-4-6-10(11)13(14,15)16/h4-7,9H,8H2,1-3H3,(H,17,19)
InChIKeyGBYVNCIFHCTKGY-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 8815729
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
N-cyclohexyl-N-(2-hydroxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 136517168
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
2-[(4-bromo-2-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 116528263
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
N-methyl-2-[methyl-[2-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 31075623
2-[(3-bromophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 40703932
2-[(3-aminophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 61127954
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 107206454
tert-butyl 4-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]but-2-enoate
CID 91376884

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide (CID 8815605) is 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is GBYVNCIFHCTKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-9(2)17-12(19)8-18(3)22(20,21)11-7-5-4-6-10(11)13(14,15)16/h4-7,9H,8H2,1-3H3,(H,17,19).
What are the key properties of 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 338.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8815605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).