5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide

C12H11F3N2O2S2 — CID 106069519

IUPAC5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2F)cs1
InChIInChI=1S/C12H11F3N2O2S2/c1-16-5-8-4-9(6-20-8)21(18,19)17-12-10(14)2-7(13)3-11(12)15/h2-4,6,16-17H,5H2,1H3
InChIKeyDWTQYDDFUZZUMK-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.69
Rot. Bonds5

About 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide

5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide (PubChem CID 106069519) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
PubChem CID106069519
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2F)cs1
InChIInChI=1S/C12H11F3N2O2S2/c1-16-5-8-4-9(6-20-8)21(18,19)17-12-10(14)2-7(13)3-11(12)15/h2-4,6,16-17H,5H2,1H3
InChIKeyDWTQYDDFUZZUMK-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

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Related Compounds

5-(methylaminomethyl)-N-(2,3,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056250
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
N-[2-(2-fluorophenyl)ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059386
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519
N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070895
5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081746
N-(2-methoxy-5-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059695
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086556
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106065925
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide (CID 106069519) is 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2c(F)cc(F)cc2F)cs1.
What is the InChIKey of 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide?
The InChIKey is DWTQYDDFUZZUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c1-16-5-8-4-9(6-20-8)21(18,19)17-12-10(14)2-7(13)3-11(12)15/h2-4,6,16-17H,5H2,1H3.
What are the key properties of 5-(methylaminomethyl)-N-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide?
5-(methylaminomethyl)-N-(2,4,6-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-(2,4,6-trifluorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106069519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).