2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide

C10H11F3N2O3S — CID 63374698

IUPAC2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c1-6-3-4-7(19(17,18)14-2)5-8(6)15-9(16)10(11,12)13/h3-5,14H,1-2H3,(H,15,16)
InChIKeyKTJVUYVEYXSBEX-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.40
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide

2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide (PubChem CID 63374698) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
PubChem CID63374698
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c1-6-3-4-7(19(17,18)14-2)5-8(6)15-9(16)10(11,12)13/h3-5,14H,1-2H3,(H,15,16)
InChIKeyKTJVUYVEYXSBEX-UHFFFAOYSA-N
XLogP1.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 62831773
2-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 43695768
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
(2S)-2-amino-4-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 61155453
N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide
CID 825465
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
5-(2-fluorophenyl)-N-[2-methyl-5-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 94836453
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
N-[2-methyl-5-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982712
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide (CID 63374698) is 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is KTJVUYVEYXSBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-6-3-4-7(19(17,18)14-2)5-8(6)15-9(16)10(11,12)13/h3-5,14H,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide?
2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 296.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 63374698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).