methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate

C21H17NO6S — CID 2457012

IUPACmethyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C21H17NO6S/c1-26-19-11-15-13-7-3-5-9-17(13)28-18(15)12-16(19)22-29(24,25)20-10-6-4-8-14(20)21(23)27-2/h3-12,22H,1-2H3
InChIKeyOWNDYLKMFIYJQA-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.18
Rot. Bonds5

About methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate

methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate (PubChem CID 2457012) has the molecular formula C21H17NO6S and a molecular weight of 411.44 g/mol. Its IUPAC name is methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
PubChem CID2457012
Molecular FormulaC21H17NO6S
Molecular Weight411.44 g/mol
Exact Mass411.08
IUPAC Namemethyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1cc2oc3ccccc3c2cc1OC
InChIInChI=1S/C21H17NO6S/c1-26-19-11-15-13-7-3-5-9-17(13)28-18(15)12-16(19)22-29(24,25)20-10-6-4-8-14(20)21(23)27-2/h3-12,22H,1-2H3
InChIKeyOWNDYLKMFIYJQA-UHFFFAOYSA-N
XLogP4.18
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2444978
4-methoxy-N-(2-methoxydibenzofuran-3-yl)naphthalene-1-sulfonamide
CID 2921082
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248
2-chloro-N-(2-methoxydibenzofuran-3-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 2457636
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 25037312
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519120
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
N-(2-methoxydibenzofuran-3-yl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26667364
N-(2-methoxydibenzofuran-3-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3679313
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31693977

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate (CID 2457012) is methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1cc2oc3ccccc3c2cc1OC.
What is the InChIKey of methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?
The InChIKey is OWNDYLKMFIYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO6S/c1-26-19-11-15-13-7-3-5-9-17(13)28-18(15)12-16(19)22-29(24,25)20-10-6-4-8-14(20)21(23)27-2/h3-12,22H,1-2H3.
What are the key properties of methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate?
methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate has a molecular weight of 411.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxydibenzofuran-3-yl)sulfamoyl]benzoate is sourced from PubChem (CID 2457012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).