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

C11H16BrNO4S2 — CID 113443450

IUPAC5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cc(Br)sc2C)CCOC1
InChIInChI=1S/C11H16BrNO4S2/c1-8-9(5-10(12)18-8)19(14,15)13-6-11(16-2)3-4-17-7-11/h5,13H,3-4,6-7H2,1-2H3
InChIKeyDBZZYVVVFPERJC-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.90
Rot. Bonds5

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

5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide (PubChem CID 113443450) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide
PubChem CID113443450
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Name5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cc(Br)sc2C)CCOC1
InChIInChI=1S/C11H16BrNO4S2/c1-8-9(5-10(12)18-8)19(14,15)13-6-11(16-2)3-4-17-7-11/h5,13H,3-4,6-7H2,1-2H3
InChIKeyDBZZYVVVFPERJC-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[(3-methoxyoxolan-3-yl)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

5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104706001
5-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 104758588
5-bromo-N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methylthiophene-3-sulfonamide
CID 115456537
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104758612
4-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104758566
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 113450085
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 104706006
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-2-methylthiophene-3-sulfonamide
CID 113295045
2-cyano-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104705980
5-(aminomethyl)-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106080477
N-[(1-aminocyclohexyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119958803
5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 107165046

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide (CID 113443450) is 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide is COC1(CNS(=O)(=O)c2cc(Br)sc2C)CCOC1.
What is the InChIKey of 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide?
The InChIKey is DBZZYVVVFPERJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-8-9(5-10(12)18-8)19(14,15)13-6-11(16-2)3-4-17-7-11/h5,13H,3-4,6-7H2,1-2H3.
What are the key properties of 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide?
5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide has a molecular weight of 370.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 113443450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).