N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C14H14N2O6S2 — CID 1129189

IUPACN-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C14H14N2O6S2/c15-23(17,18)11-3-1-10(2-4-11)16-24(19,20)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9,16H,7-8H2,(H2,15,17,18)
InChIKeyLXEMMRVSKNIZST-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.91
Rot. Bonds4

About N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 1129189) has the molecular formula C14H14N2O6S2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID1129189
Molecular FormulaC14H14N2O6S2
Molecular Weight370.41 g/mol
Exact Mass370.03
IUPAC NameN-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C14H14N2O6S2/c15-23(17,18)11-3-1-10(2-4-11)16-24(19,20)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9,16H,7-8H2,(H2,15,17,18)
InChIKeyLXEMMRVSKNIZST-UHFFFAOYSA-N
XLogP0.91
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Dasa-58
CID 44543605
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
CID 788027
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzenesulfonamide
CID 852233
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1129998
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide
CID 2376193
N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2428155
3,4-dimethoxy-N-(4-(piperidin-1-ylsulfonyl)phenyl)benzenesulfonamide
CID 663081
3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 740560
3-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]sulfonylaniline
CID 44543608
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitrobenzenesulfonamide
CID 702132
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide
CID 852232

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 1129189) is N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is LXEMMRVSKNIZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S2/c15-23(17,18)11-3-1-10(2-4-11)16-24(19,20)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9,16H,7-8H2,(H2,15,17,18).
What are the key properties of N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 370.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 1129189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).