5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide

C12H12BrNO3S2 — CID 115753828

IUPAC5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C12H12BrNO3S2/c1-8-11(6-12(13)18-8)19(16,17)14-7-9-4-2-3-5-10(9)15/h2-6,14-15H,7H2,1H3
InChIKeyNPZYGLZFZUKQEC-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.00
Rot. Bonds4

About 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide

5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide (PubChem CID 115753828) has the molecular formula C12H12BrNO3S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
PubChem CID115753828
Molecular FormulaC12H12BrNO3S2
Molecular Weight362.27 g/mol
Exact Mass360.94
IUPAC Name5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C12H12BrNO3S2/c1-8-11(6-12(13)18-8)19(16,17)14-7-9-4-2-3-5-10(9)15/h2-6,14-15H,7H2,1H3
InChIKeyNPZYGLZFZUKQEC-UHFFFAOYSA-N
XLogP3.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-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

4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688
5-bromo-N-(2-bromo-2-phenylethyl)-2-methylthiophene-3-sulfonamide
CID 114295520
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
CID 114616387
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848
(2S)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-phenylacetic acid
CID 103862420
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide (CID 115753828) is 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCc1ccccc1O.
What is the InChIKey of 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is NPZYGLZFZUKQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S2/c1-8-11(6-12(13)18-8)19(16,17)14-7-9-4-2-3-5-10(9)15/h2-6,14-15H,7H2,1H3.
What are the key properties of 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide?
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115753828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).