3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid

C17H11NO7S — CID 167982983

IUPAC3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccoc2)cc2c1Oc1ccccc1O2
InChIInChI=1S/C17H11NO7S/c19-17(20)12-7-10(18-26(21,22)11-5-6-23-9-11)8-15-16(12)25-14-4-2-1-3-13(14)24-15/h1-9,18H,(H,19,20)
InChIKeyAMCSPRPTAICJFF-UHFFFAOYSA-N
MW373.34 g/mol
LogP3.68
Rot. Bonds4

About 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid

3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid (PubChem CID 167982983) has the molecular formula C17H11NO7S and a molecular weight of 373.34 g/mol. Its IUPAC name is 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid.

Molecular Properties

Compound Name3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid
PubChem CID167982983
Molecular FormulaC17H11NO7S
Molecular Weight373.34 g/mol
Exact Mass373.03
IUPAC Name3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccoc2)cc2c1Oc1ccccc1O2
InChIInChI=1S/C17H11NO7S/c19-17(20)12-7-10(18-26(21,22)11-5-6-23-9-11)8-15-16(12)25-14-4-2-1-3-13(14)24-15/h1-9,18H,(H,19,20)
InChIKeyAMCSPRPTAICJFF-UHFFFAOYSA-N
XLogP3.68
TPSA115.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-chloro-1,2-benzoxazol-5-yl)sulfonylamino]dibenzo-p-dioxin-1-carboxylate
CID 166338428
3-(furan-3-ylsulfonylamino)-5-methylsulfonylbenzoic acid
CID 154743275
methyl 3-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]dibenzo-p-dioxin-1-carboxylate
CID 167920096
5-(benzenesulfonamido)-2-(dibenzylamino)benzoic acid
CID 50766523
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
2-(methylamino)-5-(phenylsulfamoyl)benzoic acid
CID 99988698
N-(furan-3-ylmethyl)-4-(phenylsulfamoyl)benzamide
CID 55700082
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide
CID 136541828
2-chloro-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid
CID 25331541
2-dibenzo-p-dioxin-1-yl-2-oxoacetic acid
CID 22153878
5-[[4,6,8-tris[(3,4,5-tricarboxyphenyl)sulfamoyl]naphthalen-2-yl]sulfonylamino]benzene-1,2,3-tricarboxylic acid
CID 54405155
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid?
The IUPAC name of 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid (CID 167982983) is 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid.
What is the SMILES notation for 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid?
The canonical SMILES for 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2ccoc2)cc2c1Oc1ccccc1O2.
What is the InChIKey of 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid?
The InChIKey is AMCSPRPTAICJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO7S/c19-17(20)12-7-10(18-26(21,22)11-5-6-23-9-11)8-15-16(12)25-14-4-2-1-3-13(14)24-15/h1-9,18H,(H,19,20).
What are the key properties of 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid?
3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid has a molecular weight of 373.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylsulfonylamino)dibenzo-p-dioxin-1-carboxylic acid is sourced from PubChem (CID 167982983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).