5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide

C13H15FN2O2S2 — CID 43520900

IUPAC5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCc2ccccc2F)s1
InChIInChI=1S/C13H15FN2O2S2/c14-12-4-2-1-3-10(12)9-16-20(17,18)13-6-5-11(19-13)7-8-15/h1-6,16H,7-9,15H2
InChIKeyMIFRCLZSJOCCDI-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.87
Rot. Bonds6

About 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide

5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 43520900) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID43520900
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)NCc2ccccc2F)s1
InChIInChI=1S/C13H15FN2O2S2/c14-12-4-2-1-3-10(12)9-16-20(17,18)13-6-5-11(19-13)7-8-15/h1-6,16H,7-9,15H2
InChIKeyMIFRCLZSJOCCDI-UHFFFAOYSA-N
XLogP1.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270100
5-(2-aminoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 43520972
5-(2-aminoethyl)-N-(thiophen-3-ylmethyl)thiophene-2-sulfonamide
CID 63244126
5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 60903374
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106049150
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 61477775
N-[(2-fluorophenyl)methyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112992526
5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 113494086

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 43520900) is 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)NCc2ccccc2F)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is MIFRCLZSJOCCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c14-12-4-2-1-3-10(12)9-16-20(17,18)13-6-5-11(19-13)7-8-15/h1-6,16H,7-9,15H2.
What are the key properties of 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43520900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).