2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide

C12H11F3N2O2S2 — CID 106056298

IUPAC2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H11F3N2O2S2/c1-6-5-20-10(4-16)12(6)21(18,19)17-7-2-8(13)11(15)9(14)3-7/h2-3,5,17H,4,16H2,1H3
InChIKeyAHFUAXSOGISXLD-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.73
Rot. Bonds4

About 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide

2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide (PubChem CID 106056298) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
PubChem CID106056298
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H11F3N2O2S2/c1-6-5-20-10(4-16)12(6)21(18,19)17-7-2-8(13)11(15)9(14)3-7/h2-3,5,17H,4,16H2,1H3
InChIKeyAHFUAXSOGISXLD-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-4-methyl-N-(2,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056068
2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106086480
2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071250
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-4-methylthiophene-3-sulfonamide
CID 106031154
2-(aminomethyl)-N-(3-ethoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106012185
2-(aminomethyl)-N-(2,5-dichloro-4-methylphenyl)-4-methylthiophene-3-sulfonamide
CID 106078990
2-(aminomethyl)-4-methyl-N-(6-methyl-2-pyridinyl)thiophene-3-sulfonamide
CID 106086886
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
2-(aminomethyl)-N-(dicyclopropylmethyl)-4-methylthiophene-3-sulfonamide
CID 102752653
2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584
2-(aminomethyl)-N-(3-methoxy-2-methylpropyl)-4-methylthiophene-3-sulfonamide
CID 106050717
2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
CID 107980210

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide (CID 106056298) is 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide?
The InChIKey is AHFUAXSOGISXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c1-6-5-20-10(4-16)12(6)21(18,19)17-7-2-8(13)11(15)9(14)3-7/h2-3,5,17H,4,16H2,1H3.
What are the key properties of 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide?
2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide has a molecular weight of 336.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106056298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).