5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide

C14H15BrN2O2S2 — CID 114491078

IUPAC5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc3c2CNCC3)sc1Br
InChIInChI=1S/C14H15BrN2O2S2/c1-9-7-13(20-14(9)15)21(18,19)17-12-4-2-3-10-5-6-16-8-11(10)12/h2-4,7,16-17H,5-6,8H2,1H3
InChIKeyKZCYDZNEADVRMH-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.27
Rot. Bonds3

About 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide

5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide (PubChem CID 114491078) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide
PubChem CID114491078
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc3c2CNCC3)sc1Br
InChIInChI=1S/C14H15BrN2O2S2/c1-9-7-13(20-14(9)15)21(18,19)17-12-4-2-3-10-5-6-16-8-11(10)12/h2-4,7,16-17H,5-6,8H2,1H3
InChIKeyKZCYDZNEADVRMH-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-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

5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959099
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
5-bromo-N-[2-(3-methoxypropyl)-1,3-dihydroisoindol-4-yl]-4-methylthiophene-2-sulfonamide
CID 75456329
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide
CID 79998829
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
N-(tert-butylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 114807566
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]benzoate
CID 79912735
5-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridine-3-sulfonamide
CID 114491132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide (CID 114491078) is 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc3c2CNCC3)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide?
The InChIKey is KZCYDZNEADVRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c1-9-7-13(20-14(9)15)21(18,19)17-12-4-2-3-10-5-6-16-8-11(10)12/h2-4,7,16-17H,5-6,8H2,1H3.
What are the key properties of 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide?
5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide has a molecular weight of 387.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114491078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).