5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid

C8H12N2O7S2 — CID 106335110

IUPAC5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H12N2O7S2/c1-9-18(13,14)5-4-10-19(15,16)7-3-2-6(17-7)8(11)12/h2-3,9-10H,4-5H2,1H3,(H,11,12)
InChIKeyUKPBKJUCPBCLBT-UHFFFAOYSA-N
MW312.33 g/mol
LogP-1.19
Rot. Bonds7

About 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid

5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 106335110) has the molecular formula C8H12N2O7S2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID106335110
Molecular FormulaC8H12N2O7S2
Molecular Weight312.33 g/mol
Exact Mass312.01
IUPAC Name5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C8H12N2O7S2/c1-9-18(13,14)5-4-10-19(15,16)7-3-2-6(17-7)8(11)12/h2-3,9-10H,4-5H2,1H3,(H,11,12)
InChIKeyUKPBKJUCPBCLBT-UHFFFAOYSA-N
XLogP-1.19
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[3-(dimethylamino)propylsulfamoyl]furan-2-carboxylic acid
CID 29077453
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
5-(2,2,2-trifluoroethylsulfamoyl)furan-2-carboxylic acid
CID 29077583
5-(3-methylsulfanylbutylsulfamoyl)furan-2-carboxylic acid
CID 113493885
5-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]furan-2-carboxylic acid
CID 60926737
5-[2-(4-methylpiperazin-1-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 60924480
5-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 107216107
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]furan-2-carboxylic acid
CID 104932979
5-(4-propan-2-yloxybutylsulfamoyl)furan-2-carboxylic acid
CID 106003753
5-[2-(3-methylphenyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 62313553
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid (CID 106335110) is 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid is CNS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is UKPBKJUCPBCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O7S2/c1-9-18(13,14)5-4-10-19(15,16)7-3-2-6(17-7)8(11)12/h2-3,9-10H,4-5H2,1H3,(H,11,12).
What are the key properties of 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid?
5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 312.33 g/mol, XLogP of -1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylsulfamoyl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 106335110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).