2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

C14H15F2NO2S2 — CID 63991471

IUPAC2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccsc1C(C)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C14H15F2NO2S2/c1-9-7-8-20-13(9)10(2)17-11-5-3-4-6-12(11)21(18,19)14(15)16/h3-8,10,14,17H,1-2H3
InChIKeyGVLQXZGLHUERJU-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.23
Rot. Bonds5

About 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline

2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 63991471) has the molecular formula C14H15F2NO2S2 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID63991471
Molecular FormulaC14H15F2NO2S2
Molecular Weight331.41 g/mol
Exact Mass331.05
IUPAC Name2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccsc1C(C)Nc1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C14H15F2NO2S2/c1-9-7-8-20-13(9)10(2)17-11-5-3-4-6-12(11)21(18,19)14(15)16/h3-8,10,14,17H,1-2H3
InChIKeyGVLQXZGLHUERJU-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837
N-[1-(3-methylthiophen-2-yl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63993459
2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474487
2,3,4-trifluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993191
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598
2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 102848964
N-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]methanesulfonamide
CID 63992234
2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
CID 54934651
2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992639
3-methyl-2-[1-[3-(sulfamoylamino)anilino]ethyl]thiophene
CID 63992671
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63991411
N-[1-(3-methylthiophen-2-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 63992655

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 63991471) is 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is Cc1ccsc1C(C)Nc1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is GVLQXZGLHUERJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2S2/c1-9-7-8-20-13(9)10(2)17-11-5-3-4-6-12(11)21(18,19)14(15)16/h3-8,10,14,17H,1-2H3.
What are the key properties of 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 331.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 63991471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).