N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

C11H13N3O3S2 — CID 2906606

IUPACN-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cccc2nsnc12
InChIInChI=1S/C11H13N3O3S2/c15-19(16,12-7-8-3-2-6-17-8)10-5-1-4-9-11(10)14-18-13-9/h1,4-5,8,12H,2-3,6-7H2
InChIKeyQNCQJOMNJVFJEL-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.15
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 2906606) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID2906606
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cccc2nsnc12
InChIInChI=1S/C11H13N3O3S2/c15-19(16,12-7-8-3-2-6-17-8)10-5-1-4-9-11(10)14-18-13-9/h1,4-5,8,12H,2-3,6-7H2
InChIKeyQNCQJOMNJVFJEL-UHFFFAOYSA-N
XLogP1.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-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-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 20862366
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 34143143
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122161874
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
2-methyl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 35289468
N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63627876
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 94183015
2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 53079495

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 2906606) is N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NCC1CCCO1)c1cccc2nsnc12.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is QNCQJOMNJVFJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c15-19(16,12-7-8-3-2-6-17-8)10-5-1-4-9-11(10)14-18-13-9/h1,4-5,8,12H,2-3,6-7H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 2906606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).