N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide

C11H13F3N2O3S — CID 62735221

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H13F3N2O3S/c1-7-4-5-8(15-10(17)11(12,13)14)6-9(7)20(18,19)16(2)3/h4-6H,1-3H3,(H,15,17)
InChIKeyOVNQDVZMTGWUBV-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.75
Rot. Bonds3

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide (PubChem CID 62735221) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
PubChem CID62735221
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide
SMILESCc1ccc(NC(=O)C(F)(F)F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C11H13F3N2O3S/c1-7-4-5-8(15-10(17)11(12,13)14)6-9(7)20(18,19)16(2)3/h4-6H,1-3H3,(H,15,17)
InChIKeyOVNQDVZMTGWUBV-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417269
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 43346422
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
1-(3-chloro-4-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methylphenyl]thiourea
CID 5217438
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 56542928
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
CID 81171897

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide (CID 62735221) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide is Cc1ccc(NC(=O)C(F)(F)F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide?
The InChIKey is OVNQDVZMTGWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-7-4-5-8(15-10(17)11(12,13)14)6-9(7)20(18,19)16(2)3/h4-6H,1-3H3,(H,15,17).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide has a molecular weight of 310.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62735221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).