N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide

C13H14BrClN2O2S2 — CID 80576976

IUPACN-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H14BrClN2O2S2/c1-2-17(8-9-5-3-4-6-11(9)16)21(18,19)12-7-10(15)13(14)20-12/h3-7H,2,8,16H2,1H3
InChIKeyYJUSCQKWXBFALT-UHFFFAOYSA-N
MW409.76 g/mol
LogP3.96
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide

N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide (PubChem CID 80576976) has the molecular formula C13H14BrClN2O2S2 and a molecular weight of 409.76 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
PubChem CID80576976
Molecular FormulaC13H14BrClN2O2S2
Molecular Weight409.76 g/mol
Exact Mass407.94
IUPAC NameN-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide
SMILESCCN(Cc1ccccc1N)S(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H14BrClN2O2S2/c1-2-17(8-9-5-3-4-6-11(9)16)21(18,19)12-7-10(15)13(14)20-12/h3-7H,2,8,16H2,1H3
InChIKeyYJUSCQKWXBFALT-UHFFFAOYSA-N
XLogP3.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-5-bromo-4-chloro-N-methylthiophene-2-sulfonamide
CID 80578152
N-[(2-aminophenyl)methyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578169
5-bromo-4-chloro-N-(2-chloroethyl)-N-propylthiophene-2-sulfonamide
CID 80578653
N-[(2-aminophenyl)methyl]-5-bromo-N-methylthiophene-2-sulfonamide
CID 43458476
5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 80577825
N-[(2-aminophenyl)methyl]-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099506
5-bromo-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylthiophene-2-sulfonamide
CID 79999013
N-[(2-aminophenyl)methyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 63290024
1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
CID 62020358
5-bromo-4-chloro-N-ethyl-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 80578542
N-(4-aminophenyl)-5-bromo-4-chloro-N-propylthiophene-2-sulfonamide
CID 80576694
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide (CID 80576976) is N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide is CCN(Cc1ccccc1N)S(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide?
The InChIKey is YJUSCQKWXBFALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2S2/c1-2-17(8-9-5-3-4-6-11(9)16)21(18,19)12-7-10(15)13(14)20-12/h3-7H,2,8,16H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide?
N-[(2-aminophenyl)methyl]-5-bromo-4-chloro-N-ethylthiophene-2-sulfonamide has a molecular weight of 409.76 g/mol, XLogP of 3.96, 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-4-chloro-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 80576976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).