4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

C10H16N2O7S2 — CID 43546086

IUPAC4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCCNS(C)(=O)=O)c1C(=O)O
InChIInChI=1S/C10H16N2O7S2/c1-6-8(10(13)14)9(7(2)19-6)21(17,18)12-5-4-11-20(3,15)16/h11-12H,4-5H2,1-3H3,(H,13,14)
InChIKeyZYJFQPJPIYKGCE-UHFFFAOYSA-N
MW340.38 g/mol
LogP-0.58
Rot. Bonds7

About 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 43546086) has the molecular formula C10H16N2O7S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
PubChem CID43546086
Molecular FormulaC10H16N2O7S2
Molecular Weight340.38 g/mol
Exact Mass340.04
IUPAC Name4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCCNS(C)(=O)=O)c1C(=O)O
InChIInChI=1S/C10H16N2O7S2/c1-6-8(10(13)14)9(7(2)19-6)21(17,18)12-5-4-11-20(3,15)16/h11-12H,4-5H2,1-3H3,(H,13,14)
InChIKeyZYJFQPJPIYKGCE-UHFFFAOYSA-N
XLogP-0.58
TPSA142.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-4-(3-methylsulfonylpropylsulfamoyl)furan-3-carboxylic acid
CID 61020522
4-[2-(dimethylamino)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43319876
4-[(4-amino-4-oxobutyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 60864108
4-(3-methoxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43330869
2,5-dimethyl-4-(pent-3-ynylsulfamoyl)furan-3-carboxylic acid
CID 116642733
2,5-dimethyl-4-(pent-4-ynylsulfamoyl)furan-3-carboxylic acid
CID 106220027
4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43499054
4-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106155956
2,5-dimethyl-4-(3-propoxypropylsulfamoyl)furan-3-carboxylic acid
CID 82941535
4-(cyclopentylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43371010
4-(2-but-3-enoxyethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 106395343
4-[2-(cyclopenten-1-yl)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 106168071

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (CID 43546086) is 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NCCNS(C)(=O)=O)c1C(=O)O.
What is the InChIKey of 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is ZYJFQPJPIYKGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O7S2/c1-6-8(10(13)14)9(7(2)19-6)21(17,18)12-5-4-11-20(3,15)16/h11-12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of -0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethylsulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 43546086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).