5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide

C13H15FN2O2S2 — CID 79049510

IUPAC5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2ccc(CCN)s2)c1
InChIInChI=1S/C13H15FN2O2S2/c1-9-6-10(14)8-11(7-9)16-20(17,18)13-3-2-12(19-13)4-5-15/h2-3,6-8,16H,4-5,15H2,1H3
InChIKeyVUKPWUZYULXLFA-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.50
Rot. Bonds5

About 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide (PubChem CID 79049510) has the molecular formula C13H15FN2O2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
PubChem CID79049510
Molecular FormulaC13H15FN2O2S2
Molecular Weight314.41 g/mol
Exact Mass314.06
IUPAC Name5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2ccc(CCN)s2)c1
InChIInChI=1S/C13H15FN2O2S2/c1-9-6-10(14)8-11(7-9)16-20(17,18)13-3-2-12(19-13)4-5-15/h2-3,6-8,16H,4-5,15H2,1H3
InChIKeyVUKPWUZYULXLFA-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(2-aminoethyl)-N-(3-bromo-4-fluorophenyl)thiophene-2-sulfonamide
CID 104779852
5-(2-aminoethyl)-N-(2-bromo-5-fluorophenyl)thiophene-2-sulfonamide
CID 107626847
5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
N-[2-[5-[(3,5-dimethylphenyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 47068610
5-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107529035
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 107601110
5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 43520882
5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 79729691
5-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)thiophene-2-sulfonamide
CID 107806361
5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
CID 43520942

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide (CID 79049510) is 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2ccc(CCN)s2)c1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is VUKPWUZYULXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S2/c1-9-6-10(14)8-11(7-9)16-20(17,18)13-3-2-12(19-13)4-5-15/h2-3,6-8,16H,4-5,15H2,1H3.
What are the key properties of 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79049510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).