4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

C13H15FN2O3S2 — CID 61298639

IUPAC4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2cc(N)cs2)cc1F
InChIInChI=1S/C13H15FN2O3S2/c1-16(21(17,18)13-6-10(15)8-20-13)7-9-3-4-12(19-2)11(14)5-9/h3-6,8H,7,15H2,1-2H3
InChIKeyUAHKJJMXARNNAY-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 61298639) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID61298639
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC Name4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2cc(N)cs2)cc1F
InChIInChI=1S/C13H15FN2O3S2/c1-16(21(17,18)13-6-10(15)8-20-13)7-9-3-4-12(19-2)11(14)5-9/h3-6,8H,7,15H2,1-2H3
InChIKeyUAHKJJMXARNNAY-UHFFFAOYSA-N
XLogP2.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 61298639) is 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2cc(N)cs2)cc1F.
What is the InChIKey of 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is UAHKJJMXARNNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-16(21(17,18)13-6-10(15)8-20-13)7-9-3-4-12(19-2)11(14)5-9/h3-6,8H,7,15H2,1-2H3.
What are the key properties of 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 61298639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).