5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide

C12H11F3N2O2S2 — CID 106056250

IUPAC5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)cs1
InChIInChI=1S/C12H11F3N2O2S2/c1-16-5-8-4-9(6-20-8)21(18,19)17-11-3-7(13)2-10(14)12(11)15/h2-4,6,16-17H,5H2,1H3
InChIKeyCPMOSDYQSWZLJL-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.69
Rot. Bonds5

About 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide

5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide (PubChem CID 106056250) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
PubChem CID106056250
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)cs1
InChIInChI=1S/C12H11F3N2O2S2/c1-16-5-8-4-9(6-20-8)21(18,19)17-11-3-7(13)2-10(14)12(11)15/h2-4,6,16-17H,5H2,1H3
InChIKeyCPMOSDYQSWZLJL-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
CID 106069519
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
5-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106056264
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
CID 106058021
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340
5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081746
N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059386
N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106065925

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide (CID 106056250) is 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2F)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide?
The InChIKey is CPMOSDYQSWZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c1-16-5-8-4-9(6-20-8)21(18,19)17-11-3-7(13)2-10(14)12(11)15/h2-4,6,16-17H,5H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide has a molecular weight of 336.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106056250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).