5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid

C11H12N2O5S — CID 2810321

IUPAC5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H12N2O5S/c1-13-9(11(14)15)4-5-10(13)19(16,17)12-7-8-3-2-6-18-8/h2-6,12H,7H2,1H3,(H,14,15)
InChIKeyOYHBCBNATFXWJO-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.79
Rot. Bonds5

About 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid

5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid (PubChem CID 2810321) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
PubChem CID2810321
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
SMILESCn1c(C(=O)O)ccc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C11H12N2O5S/c1-13-9(11(14)15)4-5-10(13)19(16,17)12-7-8-3-2-6-18-8/h2-6,12H,7H2,1H3,(H,14,15)
InChIKeyOYHBCBNATFXWJO-UHFFFAOYSA-N
XLogP0.79
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-{[(2-furylmethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810312
Methyl 4-{[(furan-2-YL)methyl](methyl)sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552125
Ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 20969589
Methyl 4-{butyl[(furan-2-YL)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 20938596
Methyl 4-[(2-{cyclopentyl[(furan-2-YL)methyl]amino}ethyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 20938646
N-[(Furan-2-YL)methyl]-1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 22519019
1-Methyl-4-[[5-(trifluoromethyl)furan-2-yl]sulfonylamino]pyrrole-2-carboxylic acid
CID 167984617
Methyl 4-{[(furan-2-YL)methyl][3-(morpholin-4-YL)propyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 20938578
Methyl 4-[(2-{tert-butyl[(furan-2-YL)methyl]amino}ethyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938599
Methyl 4-{[(furan-2-YL)methyl][2-(morpholin-4-YL)ethyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 20938600
methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938618
methyl 4-({[2-(2-furyl)ethyl]amino}sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
CID 20938665

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid (CID 2810321) is 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid is Cn1c(C(=O)O)ccc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
The InChIKey is OYHBCBNATFXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c1-13-9(11(14)15)4-5-10(13)19(16,17)12-7-8-3-2-6-18-8/h2-6,12H,7H2,1H3,(H,14,15).
What are the key properties of 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid?
5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 2810321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).