4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

C13H16N2O5S — CID 81428830

IUPAC4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C13H16N2O5S/c1-8-11(13(16)17)14-9(2)12(8)21(18,19)15(3)7-10-5-4-6-20-10/h4-6,14H,7H2,1-3H3,(H,16,17)
InChIKeyYFSKDMPVUWQESK-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.74
Rot. Bonds5

About 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 81428830) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID81428830
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C13H16N2O5S/c1-8-11(13(16)17)14-9(2)12(8)21(18,19)15(3)7-10-5-4-6-20-10/h4-6,14H,7H2,1-3H3,(H,16,17)
InChIKeyYFSKDMPVUWQESK-UHFFFAOYSA-N
XLogP1.74
TPSA103.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[furan-3-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81435035
N-(furan-2-ylmethyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 7937948
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43526876
N-(furan-2-ylmethyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929638
4-amino-2-[furan-2-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 102930942
ethyl 4-(furan-2-ylmethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53059249
3,5-dimethyl-4-[methyl(pyridin-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 106934694
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885
N-(furan-2-ylmethyl)-N,1,2,5-tetramethyl-4-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945518
4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81423453
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 81428830) is 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is YFSKDMPVUWQESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-8-11(13(16)17)14-9(2)12(8)21(18,19)15(3)7-10-5-4-6-20-10/h4-6,14H,7H2,1-3H3,(H,16,17).
What are the key properties of 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 81428830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).