N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide

C11H11N3O4S — CID 3239538

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc[nH]1
InChIInChI=1S/C11H11N3O4S/c15-19(16,11-6-12-7-13-11)14-8-1-2-9-10(5-8)18-4-3-17-9/h1-2,5-7,14H,3-4H2,(H,12,13)
InChIKeyDOZXMEQHDXVDTN-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.98
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide (PubChem CID 3239538) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide
PubChem CID3239538
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc[nH]1
InChIInChI=1S/C11H11N3O4S/c15-19(16,11-6-12-7-13-11)14-8-1-2-9-10(5-8)18-4-3-17-9/h1-2,5-7,14H,3-4H2,(H,12,13)
InChIKeyDOZXMEQHDXVDTN-UHFFFAOYSA-N
XLogP0.98
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 2810645
N-(4-ethoxyphenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 20938153
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308794
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-imidazole-4-sulfonamide
CID 2811636
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-p-phenetyl-acetamide
CID 16011827
1-(1H-imidazol-4-ylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 16195464
N-(3,4-dimethoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 20958579
N-(4-methoxyphenyl)-1H-imidazole-4-sulfonamide
CID 4670203
1-methyl-N-(3,4,5-trimethoxyphenyl)-1H-imidazole-4-sulfonamide
CID 20958605
N-(3,4-Dimethoxyphenyl)-2-(N-methyl1H-imidazole-4-sulfonamido)acetamide
CID 20888594
N-(4-ethoxyphenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 71865327
N-[4-(trifluoromethoxy)phenyl]-1H-imidazole-5-sulfonamide
CID 5209905

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide (CID 3239538) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc[nH]1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is DOZXMEQHDXVDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-19(16,11-6-12-7-13-11)14-8-1-2-9-10(5-8)18-4-3-17-9/h1-2,5-7,14H,3-4H2,(H,12,13).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 281.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 3239538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).