2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid

C11H14N4O5S — CID 104655208

IUPAC2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NC(C)c2ncn[nH]2)c1C(=O)O
InChIInChI=1S/C11H14N4O5S/c1-5(10-12-4-13-14-10)15-21(18,19)9-7(3)20-6(2)8(9)11(16)17/h4-5,15H,1-3H3,(H,16,17)(H,12,13,14)
InChIKeyUGUZOHUERXOPEO-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.75
Rot. Bonds5

About 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid

2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid (PubChem CID 104655208) has the molecular formula C11H14N4O5S and a molecular weight of 314.32 g/mol. Its IUPAC name is 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid
PubChem CID104655208
Molecular FormulaC11H14N4O5S
Molecular Weight314.32 g/mol
Exact Mass314.07
IUPAC Name2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NC(C)c2ncn[nH]2)c1C(=O)O
InChIInChI=1S/C11H14N4O5S/c1-5(10-12-4-13-14-10)15-21(18,19)9-7(3)20-6(2)8(9)11(16)17/h4-5,15H,1-3H3,(H,16,17)(H,12,13,14)
InChIKeyUGUZOHUERXOPEO-UHFFFAOYSA-N
XLogP0.75
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 103885361
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
2,5-dimethyl-4-(3-methylpentan-2-ylsulfamoyl)furan-3-carboxylic acid
CID 61463329
3-chloro-4-methyl-5-[[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]sulfamoyl]benzoic acid
CID 100688428
2,5-dimethyl-4-[[(1S)-1-thiophen-2-ylethyl]sulfamoyl]furan-3-carboxylic acid
CID 81391276
3-amino-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281112
1,3,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 103885464
3,5-dimethyl-1-(2-methylpropyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 75520565
4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 61482264
2-hydroxy-5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281481
4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43499054
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 103943227

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid (CID 104655208) is 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NC(C)c2ncn[nH]2)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid?
The InChIKey is UGUZOHUERXOPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O5S/c1-5(10-12-4-13-14-10)15-21(18,19)9-7(3)20-6(2)8(9)11(16)17/h4-5,15H,1-3H3,(H,16,17)(H,12,13,14).
What are the key properties of 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid has a molecular weight of 314.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104655208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).