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

C11H12N2O5S — CID 61422202

IUPAC4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCN(Cc1ccoc1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H12N2O5S/c1-13(6-8-2-3-18-7-8)19(16,17)9-4-10(11(14)15)12-5-9/h2-5,7,12H,6H2,1H3,(H,14,15)
InChIKeyRADSAZZNSQJFJF-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.13
Rot. Bonds5

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

4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 61422202) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID61422202
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCN(Cc1ccoc1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H12N2O5S/c1-13(6-8-2-3-18-7-8)19(16,17)9-4-10(11(14)15)12-5-9/h2-5,7,12H,6H2,1H3,(H,14,15)
InChIKeyRADSAZZNSQJFJF-UHFFFAOYSA-N
XLogP1.13
TPSA103.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-3-ylmethyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 61422679
4-[methyl-[(2-methylphenyl)methyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43578503
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804879
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61042051
3-fluoro-4-[furan-3-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 79177687
4-[furan-3-ylmethyl(methyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81435035
N-(furan-3-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421942
N-(furan-3-ylmethyl)-N-methyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110868966
3-amino-4-fluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61422118
4-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 114948672

Frequently Asked Questions

What is the IUPAC name of 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 61422202) is 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CN(Cc1ccoc1)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is RADSAZZNSQJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c1-13(6-8-2-3-18-7-8)19(16,17)9-4-10(11(14)15)12-5-9/h2-5,7,12H,6H2,1H3,(H,14,15).
What are the key properties of 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 61422202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).