5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide

C12H13BrN2O2S2 — CID 106057499

IUPAC5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C12H13BrN2O2S2/c1-8-4-9(13)2-3-12(8)15-19(16,17)11-5-10(6-14)18-7-11/h2-5,7,15H,6,14H2,1H3
InChIKeyZNBLTQQILIJKRB-UHFFFAOYSA-N
MW361.29 g/mol
LogP3.08
Rot. Bonds4

About 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide

5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide (PubChem CID 106057499) has the molecular formula C12H13BrN2O2S2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
PubChem CID106057499
Molecular FormulaC12H13BrN2O2S2
Molecular Weight361.29 g/mol
Exact Mass359.96
IUPAC Name5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C12H13BrN2O2S2/c1-8-4-9(13)2-3-12(8)15-19(16,17)11-5-10(6-14)18-7-11/h2-5,7,15H,6,14H2,1H3
InChIKeyZNBLTQQILIJKRB-UHFFFAOYSA-N
XLogP3.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)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

5-(aminomethyl)-N-(4-bromo-5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
CID 106083113
5-(aminomethyl)-N-(2-bromophenyl)thiophene-3-sulfonamide
CID 106061159
5-(aminomethyl)-N-(2,5-difluoro-4-methylphenyl)thiophene-3-sulfonamide
CID 106087283
5-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)thiophene-3-sulfonamide
CID 106001955
5-(aminomethyl)-N-(2-iodophenyl)thiophene-3-sulfonamide
CID 106030161
5-(aminomethyl)-N-(2,5-difluorophenyl)thiophene-3-sulfonamide
CID 106058021
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867
5-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)thiophene-3-sulfonamide
CID 106067006
N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 46800107
5-(aminomethyl)-N-(4-methylsulfanylphenyl)thiophene-3-sulfonamide
CID 106057752
N-(4-bromo-2-methylphenyl)-4-tert-butylbenzenesulfonamide
CID 22774646

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide (CID 106057499) is 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1csc(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is ZNBLTQQILIJKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S2/c1-8-4-9(13)2-3-12(8)15-19(16,17)11-5-10(6-14)18-7-11/h2-5,7,15H,6,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide?
5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 361.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-bromo-2-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106057499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).