N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C16H19F3N2O2S2 — CID 170509047

IUPACN-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C16H19F3N2O2S2/c1-21(2)11-5-10-20-25(22,23)15-9-8-14(24-15)12-6-3-4-7-13(12)16(17,18)19/h3-4,6-9,20H,5,10-11H2,1-2H3
InChIKeyZRYTTYRCODRZPX-UHFFFAOYSA-N
MW392.47 g/mol
LogP3.66
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 170509047) has the molecular formula C16H19F3N2O2S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID170509047
Molecular FormulaC16H19F3N2O2S2
Molecular Weight392.47 g/mol
Exact Mass392.08
IUPAC NameN-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C16H19F3N2O2S2/c1-21(2)11-5-10-20-25(22,23)15-9-8-14(24-15)12-6-3-4-7-13(12)16(17,18)19/h3-4,6-9,20H,5,10-11H2,1-2H3
InChIKeyZRYTTYRCODRZPX-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide 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-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 170509047) is N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is CN(C)CCCNS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is ZRYTTYRCODRZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2S2/c1-21(2)11-5-10-20-25(22,23)15-9-8-14(24-15)12-6-3-4-7-13(12)16(17,18)19/h3-4,6-9,20H,5,10-11H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 392.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 170509047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).