7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C9H10N2O5S — CID 65375407

IUPAC7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESNC(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2
InChIInChI=1S/C9H10N2O5S/c10-9(12)6-3-5(17(11,13)14)4-7-8(6)16-2-1-15-7/h3-4H,1-2H2,(H2,10,12)(H2,11,13,14)
InChIKeyCRBGHZSRZPMAIQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP-0.80
Rot. Bonds2

About 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 65375407) has the molecular formula C9H10N2O5S and a molecular weight of 258.25 g/mol. Its IUPAC name is 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound Name7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID65375407
Molecular FormulaC9H10N2O5S
Molecular Weight258.25 g/mol
Exact Mass258.03
IUPAC Name7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESNC(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2
InChIInChI=1S/C9H10N2O5S/c10-9(12)6-3-5(17(11,13)14)4-7-8(6)16-2-1-15-7/h3-4H,1-2H2,(H2,10,12)(H2,11,13,14)
InChIKeyCRBGHZSRZPMAIQ-UHFFFAOYSA-N
XLogP-0.80
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 65373686
cyclopropylmethyl 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxylate
CID 65382241
7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 141056369
7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71069129
5-[ethyl(methyl)carbamoyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65371444
5-(tert-butylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65372942
2,3-dimethyl-5-sulfamoylbenzamide
CID 65373668
5-(2,2-difluoroethylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 115408839
5-(butan-2-ylcarbamoyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonyl chloride
CID 65368757
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-sulfamoylphenyl)acetamide
CID 35053547
2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxamide
CID 67383465
7-(3-methylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 69168955

Frequently Asked Questions

What is the IUPAC name of 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 65375407) is 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is NC(=O)c1cc(S(N)(=O)=O)cc2c1OCCO2.
What is the InChIKey of 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is CRBGHZSRZPMAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5S/c10-9(12)6-3-5(17(11,13)14)4-7-8(6)16-2-1-15-7/h3-4H,1-2H2,(H2,10,12)(H2,11,13,14).
What are the key properties of 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 258.25 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-sulfamoyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 65375407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).