5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide

C9H12BrNO2S2 — CID 114616387

IUPAC5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C9H12BrNO2S2/c1-6(2)5-11-15(12,13)8-4-9(10)14-7(8)3/h4,11H,1,5H2,2-3H3
InChIKeyGNQQQGFSVMWKLZ-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.67
Rot. Bonds4

About 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide (PubChem CID 114616387) has the molecular formula C9H12BrNO2S2 and a molecular weight of 310.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
PubChem CID114616387
Molecular FormulaC9H12BrNO2S2
Molecular Weight310.24 g/mol
Exact Mass308.95
IUPAC Name5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C9H12BrNO2S2/c1-6(2)5-11-15(12,13)8-4-9(10)14-7(8)3/h4,11H,1,5H2,2-3H3
InChIKeyGNQQQGFSVMWKLZ-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-bromo-2-methyl-N-(2-methylprop-2-enyl)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-bromo-N-[3-(methanesulfonamido)propyl]-2-methylthiophene-3-sulfonamide
CID 113254406
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848
5-bromo-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylthiophene-3-sulfonamide
CID 115456537
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 113295045
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-2-methylthiophene-3-sulfonamide
CID 106255936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide (CID 114616387) is 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide is C=C(C)CNS(=O)(=O)c1cc(Br)sc1C.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide?
The InChIKey is GNQQQGFSVMWKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S2/c1-6(2)5-11-15(12,13)8-4-9(10)14-7(8)3/h4,11H,1,5H2,2-3H3.
What are the key properties of 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide has a molecular weight of 310.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methylprop-2-enyl)thiophene-3-sulfonamide is sourced from PubChem (CID 114616387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).