N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide

C13H15BrN2O2S2 — CID 43459292

IUPACN-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H15BrN2O2S2/c1-2-16(9-10-5-3-4-6-11(10)15)20(17,18)13-8-7-12(14)19-13/h3-8H,2,9,15H2,1H3
InChIKeyAMOZTYGZHFUDJG-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.30
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide

N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide (PubChem CID 43459292) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide
PubChem CID43459292
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC NameN-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C13H15BrN2O2S2/c1-2-16(9-10-5-3-4-6-11(10)15)20(17,18)13-8-7-12(14)19-13/h3-8H,2,9,15H2,1H3
InChIKeyAMOZTYGZHFUDJG-UHFFFAOYSA-N
XLogP3.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide (CID 43459292) is N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide is CCN(Cc1ccccc1N)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide?
The InChIKey is AMOZTYGZHFUDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-2-16(9-10-5-3-4-6-11(10)15)20(17,18)13-8-7-12(14)19-13/h3-8H,2,9,15H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide?
N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide has a molecular weight of 375.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 43459292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).