4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide

C11H9F3N2O2S2 — CID 106056093

IUPAC4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1
InChIInChI=1S/C11H9F3N2O2S2/c12-7-2-9(14)10(3-8(7)13)16-20(17,18)11-1-6(4-15)5-19-11/h1-3,5,16H,4,15H2
InChIKeySLHLXAAEPIHRRI-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.42
Rot. Bonds4

About 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide

4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide (PubChem CID 106056093) has the molecular formula C11H9F3N2O2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
PubChem CID106056093
Molecular FormulaC11H9F3N2O2S2
Molecular Weight322.33 g/mol
Exact Mass322.01
IUPAC Name4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
SMILESNCc1csc(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1
InChIInChI=1S/C11H9F3N2O2S2/c12-7-2-9(14)10(3-8(7)13)16-20(17,18)11-1-6(4-15)5-19-11/h1-3,5,16H,4,15H2
InChIKeySLHLXAAEPIHRRI-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)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

Related Compounds

4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
4-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
4-amino-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55118253
4-(aminomethyl)-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 106057742
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]thiophene-2-sulfonamide
CID 106052083
2-(aminomethyl)-4-methyl-N-(2,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056068
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
4-(aminomethyl)-N-quinolin-8-ylthiophene-2-sulfonamide
CID 106048429
4-(aminomethyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 106053177
4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide
CID 107971341
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide (CID 106056093) is 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide is NCc1csc(S(=O)(=O)Nc2cc(F)c(F)cc2F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide?
The InChIKey is SLHLXAAEPIHRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S2/c12-7-2-9(14)10(3-8(7)13)16-20(17,18)11-1-6(4-15)5-19-11/h1-3,5,16H,4,15H2.
What are the key properties of 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide?
4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide has a molecular weight of 322.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106056093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).