2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide

C11H13F3N2O3S — CID 122141465

IUPAC2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
SMILESCNS(=O)(=O)CC(=O)Nc1ccc(C(F)(F)F)c(C)c1
InChIInChI=1S/C11H13F3N2O3S/c1-7-5-8(3-4-9(7)11(12,13)14)16-10(17)6-20(18,19)15-2/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyXQYLKGCBDJMLMH-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.50
Rot. Bonds4

About 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide

2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 122141465) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
PubChem CID122141465
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
SMILESCNS(=O)(=O)CC(=O)Nc1ccc(C(F)(F)F)c(C)c1
InChIInChI=1S/C11H13F3N2O3S/c1-7-5-8(3-4-9(7)11(12,13)14)16-10(17)6-20(18,19)15-2/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyXQYLKGCBDJMLMH-UHFFFAOYSA-N
XLogP1.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
CID 166262998
2-[(4-bromophenyl)methylsulfonyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 112826325
N-[6-(dimethylamino)naphthalen-2-yl]-2-(methylsulfamoyl)acetamide
CID 122153685
N-[3-methyl-4-(trifluoromethyl)phenyl]formamide
CID 142387877
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
1-methyl-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 115575822
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
3,3-dimethyl-N-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]butanamide
CID 60565767
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510085
[3,4-bis(trifluoromethyl)phenyl]carbamic acid
CID 91432072
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide (CID 122141465) is 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide is CNS(=O)(=O)CC(=O)Nc1ccc(C(F)(F)F)c(C)c1.
What is the InChIKey of 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XQYLKGCBDJMLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-7-5-8(3-4-9(7)11(12,13)14)16-10(17)6-20(18,19)15-2/h3-5,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide?
2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 310.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoyl)-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122141465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).