5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide

C12H16N2O6S2 — CID 146024517

IUPAC5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1C(N)=O
InChIInChI=1S/C12H16N2O6S2/c1-20-11-3-2-9(6-10(11)12(13)15)22(18,19)14-8-4-5-21(16,17)7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H2,13,15)
InChIKeyOAOJBIMWQUDOKT-UHFFFAOYSA-N
MW348.40 g/mol
LogP-0.74
Rot. Bonds5

About 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide

5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide (PubChem CID 146024517) has the molecular formula C12H16N2O6S2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide
PubChem CID146024517
Molecular FormulaC12H16N2O6S2
Molecular Weight348.40 g/mol
Exact Mass348.04
IUPAC Name5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1C(N)=O
InChIInChI=1S/C12H16N2O6S2/c1-20-11-3-2-9(6-10(11)12(13)15)22(18,19)14-8-4-5-21(16,17)7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H2,13,15)
InChIKeyOAOJBIMWQUDOKT-UHFFFAOYSA-N
XLogP-0.74
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide
CID 119967645
5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-2-methoxybenzamide;hydrochloride
CID 119967644
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858
N-[2-chloro-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
CID 2810894
5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methoxybenzamide
CID 119983507
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
5-(tert-butylsulfamoyl)-2-methoxybenzamide
CID 42562024
4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26003595
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
5-(1,1-dioxothiolan-3-yl)sulfonyl-2-methoxybenzoic acid
CID 61058662

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide (CID 146024517) is 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide is COc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1C(N)=O.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide?
The InChIKey is OAOJBIMWQUDOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S2/c1-20-11-3-2-9(6-10(11)12(13)15)22(18,19)14-8-4-5-21(16,17)7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H2,13,15).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide?
5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide has a molecular weight of 348.40 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)sulfamoyl]-2-methoxybenzamide is sourced from PubChem (CID 146024517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).