2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide

C13H15FN2O3S2 — CID 106086480

IUPAC2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)csc2CN)ccc1F
InChIInChI=1S/C13H15FN2O3S2/c1-8-7-20-12(6-15)13(8)21(17,18)16-9-3-4-10(14)11(5-9)19-2/h3-5,7,16H,6,15H2,1-2H3
InChIKeyLPFVYKMSFUZHHO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.46
Rot. Bonds5

About 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide

2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106086480) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide
PubChem CID106086480
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC Name2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2c(C)csc2CN)ccc1F
InChIInChI=1S/C13H15FN2O3S2/c1-8-7-20-12(6-15)13(8)21(17,18)16-9-3-4-10(14)11(5-9)19-2/h3-5,7,16H,6,15H2,1-2H3
InChIKeyLPFVYKMSFUZHHO-UHFFFAOYSA-N
XLogP2.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056298
2-(aminomethyl)-4-methyl-N-(2,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056068
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-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
5-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106030415
5-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106076647
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099
2-(ethylaminomethyl)-N-(3-fluorophenyl)-4-methylthiophene-3-sulfonamide
CID 106060584

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide (CID 106086480) is 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide is COc1cc(NS(=O)(=O)c2c(C)csc2CN)ccc1F.
What is the InChIKey of 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is LPFVYKMSFUZHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-8-7-20-12(6-15)13(8)21(17,18)16-9-3-4-10(14)11(5-9)19-2/h3-5,7,16H,6,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106086480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).