5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid

C10H13NO7S — CID 54907359

IUPAC5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2COCCO2)o1
InChIInChI=1S/C10H13NO7S/c12-10(13)8-1-2-9(18-8)19(14,15)11-5-7-6-16-3-4-17-7/h1-2,7,11H,3-6H2,(H,12,13)
InChIKeyGXTIUNYCXPEVTE-UHFFFAOYSA-N
MW291.28 g/mol
LogP-0.33
Rot. Bonds5

About 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid

5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 54907359) has the molecular formula C10H13NO7S and a molecular weight of 291.28 g/mol. Its IUPAC name is 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID54907359
Molecular FormulaC10H13NO7S
Molecular Weight291.28 g/mol
Exact Mass291.04
IUPAC Name5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC2COCCO2)o1
InChIInChI=1S/C10H13NO7S/c12-10(13)8-1-2-9(18-8)19(14,15)11-5-7-6-16-3-4-17-7/h1-2,7,11H,3-6H2,(H,12,13)
InChIKeyGXTIUNYCXPEVTE-UHFFFAOYSA-N
XLogP-0.33
TPSA115.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,4-dioxan-2-ylmethylsulfamoyl)-3-fluorobenzoic acid
CID 79177670
4-amino-2-chloro-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54908030
1-[4-(aminomethyl)phenyl]-N-(1,4-dioxan-2-ylmethyl)methanesulfonamide
CID 61023167
3-amino-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54907983
5-(morpholin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 83004785
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
4-(1,4-dioxan-2-ylmethylsulfamoylmethyl)benzenecarbothioamide
CID 61023841
4-amino-2-bromo-N-(1,4-dioxan-2-ylmethyl)benzenesulfonamide
CID 54908255
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
N-(1,4-dioxan-2-ylmethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106016635
5-(oxolan-3-ylmethylsulfonyl)furan-2-carboxylic acid
CID 63943374
2-(1,4-dioxan-2-ylmethylsulfamoyl)benzenecarbothioamide
CID 61023716

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 54907359) is 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCC2COCCO2)o1.
What is the InChIKey of 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is GXTIUNYCXPEVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO7S/c12-10(13)8-1-2-9(18-8)19(14,15)11-5-7-6-16-3-4-17-7/h1-2,7,11H,3-6H2,(H,12,13).
What are the key properties of 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 291.28 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxan-2-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 54907359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).