N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide

C10H13F3N2O2S — CID 142857310

IUPACN-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCc1ccc(N(C)C)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7-4-5-8(15(2)3)6-9(7)14-18(16,17)10(11,12)13/h4-6,14H,1-3H3
InChIKeySKWDKFNOZLFXND-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.32
Rot. Bonds3

About N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide

N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 142857310) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID142857310
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCc1ccc(N(C)C)cc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7-4-5-8(15(2)3)6-9(7)14-18(16,17)10(11,12)13/h4-6,14H,1-3H3
InChIKeySKWDKFNOZLFXND-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide (CID 142857310) is N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide is Cc1ccc(N(C)C)cc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is SKWDKFNOZLFXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-7-4-5-8(15(2)3)6-9(7)14-18(16,17)10(11,12)13/h4-6,14H,1-3H3.
What are the key properties of N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide?
N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 142857310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).