5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide

C12H11BrFNO2S2 — CID 79933429

IUPAC5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2C)sc1Br
InChIInChI=1S/C12H11BrFNO2S2/c1-7-6-11(18-12(7)13)19(16,17)15-10-5-3-4-9(14)8(10)2/h3-6,15H,1-2H3
InChIKeyKEENSMVQPYBIRY-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.07
Rot. Bonds3

About 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide

5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79933429) has the molecular formula C12H11BrFNO2S2 and a molecular weight of 364.26 g/mol. Its IUPAC name is 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
PubChem CID79933429
Molecular FormulaC12H11BrFNO2S2
Molecular Weight364.26 g/mol
Exact Mass362.94
IUPAC Name5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2C)sc1Br
InChIInChI=1S/C12H11BrFNO2S2/c1-7-6-11(18-12(7)13)19(16,17)15-10-5-3-4-9(14)8(10)2/h3-6,15H,1-2H3
InChIKeyKEENSMVQPYBIRY-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-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-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
N-(2-amino-6-fluorophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 81310728
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
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-N-(4-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79933721
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]benzoate
CID 79912735
5-bromo-N-(2-bromo-4,6-difluorophenyl)-4-methylthiophene-2-sulfonamide
CID 75356364
3-amino-4-bromo-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 115329158
5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide
CID 114491078

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide (CID 79933429) is 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(F)c2C)sc1Br.
What is the InChIKey of 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is KEENSMVQPYBIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2S2/c1-7-6-11(18-12(7)13)19(16,17)15-10-5-3-4-9(14)8(10)2/h3-6,15H,1-2H3.
What are the key properties of 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 364.26 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79933429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).