2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C12H11Br2ClN2O2S2 — CID 106090264

IUPAC2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c(Br)s1
InChIInChI=1S/C12H11Br2ClN2O2S2/c1-16-6-8-5-11(12(14)20-8)21(18,19)17-7-2-3-9(13)10(15)4-7/h2-5,16-17H,6H2,1H3
InChIKeyWSOHCTAOMQGNJA-UHFFFAOYSA-N
MW474.63 g/mol
LogP4.45
Rot. Bonds5

About 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106090264) has the molecular formula C12H11Br2ClN2O2S2 and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106090264
Molecular FormulaC12H11Br2ClN2O2S2
Molecular Weight474.63 g/mol
Exact Mass471.83
IUPAC Name2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c(Br)s1
InChIInChI=1S/C12H11Br2ClN2O2S2/c1-16-6-8-5-11(12(14)20-8)21(18,19)17-7-2-3-9(13)10(15)4-7/h2-5,16-17H,6H2,1H3
InChIKeyWSOHCTAOMQGNJA-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-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-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194
2-bromo-N-(4-fluoro-3-methylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056173
2-bromo-5-(methylaminomethyl)-N-(1H-pyrazol-4-yl)thiophene-3-sulfonamide
CID 114134489
2-bromo-N-[(2-chlorophenyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106058681
5-(aminomethyl)-2-bromo-N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 106060874
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
5-bromo-4-[(3-chloro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824334
N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070895
5-amino-N-(4-bromo-3-chlorophenyl)-2-ethylbenzenesulfonamide
CID 107618486
2-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076838
5-(aminomethyl)-2-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-3-sulfonamide
CID 106088254
N-(4-bromo-3-chlorophenyl)-2-(hydroxymethyl)benzenesulfonamide
CID 106000455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106090264) is 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c(Br)s1.
What is the InChIKey of 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is WSOHCTAOMQGNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2ClN2O2S2/c1-16-6-8-5-11(12(14)20-8)21(18,19)17-7-2-3-9(13)10(15)4-7/h2-5,16-17H,6H2,1H3.
What are the key properties of 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 474.63 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106090264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).