5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide

C12H12Br2N2O2S2 — CID 107601110

IUPAC5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2c(Br)cccc2Br)s1
InChIInChI=1S/C12H12Br2N2O2S2/c13-9-2-1-3-10(14)12(9)16-20(17,18)11-5-4-8(19-11)6-7-15/h1-5,16H,6-7,15H2
InChIKeyYMCRIIYOXLYKLN-UHFFFAOYSA-N
MW440.18 g/mol
LogP3.58
Rot. Bonds5

About 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide

5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide (PubChem CID 107601110) has the molecular formula C12H12Br2N2O2S2 and a molecular weight of 440.18 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
PubChem CID107601110
Molecular FormulaC12H12Br2N2O2S2
Molecular Weight440.18 g/mol
Exact Mass437.87
IUPAC Name5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
SMILESNCCc1ccc(S(=O)(=O)Nc2c(Br)cccc2Br)s1
InChIInChI=1S/C12H12Br2N2O2S2/c13-9-2-1-3-10(14)12(9)16-20(17,18)11-5-4-8(19-11)6-7-15/h1-5,16H,6-7,15H2
InChIKeyYMCRIIYOXLYKLN-UHFFFAOYSA-N
XLogP3.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.18
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminoethyl)-N-phenylthiophene-2-sulfonamide
CID 43520785
5-(2-aminoethyl)-N-(2-bromo-5-fluorophenyl)thiophene-2-sulfonamide
CID 107626847
5-(2-aminoethyl)-N-(3-bromo-4-fluorophenyl)thiophene-2-sulfonamide
CID 104779852
5-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 79729691
5-(2-aminoethyl)-N-(3,4-dimethylphenyl)thiophene-2-sulfonamide
CID 43520881
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
5-(2-aminoethyl)-N-pyridin-4-ylthiophene-2-sulfonamide
CID 43520810
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
5-(2-aminoethyl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 60903374
5-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 43520882
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
5-(2-aminoethyl)-N-(4-nitrophenyl)thiophene-2-sulfonamide
CID 43520942

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide (CID 107601110) is 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide is NCCc1ccc(S(=O)(=O)Nc2c(Br)cccc2Br)s1.
What is the InChIKey of 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide?
The InChIKey is YMCRIIYOXLYKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O2S2/c13-9-2-1-3-10(14)12(9)16-20(17,18)11-5-4-8(19-11)6-7-15/h1-5,16H,6-7,15H2.
What are the key properties of 5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide?
5-(2-aminoethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide has a molecular weight of 440.18 g/mol, XLogP of 3.58, 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-(2,6-dibromophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107601110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).