4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H12N2O5S — CID 43535672

IUPAC4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccco1
InChIInChI=1S/C11H12N2O5S/c1-7(10-3-2-4-18-10)13-19(16,17)8-5-9(11(14)15)12-6-8/h2-7,12-13H,1H3,(H,14,15)
InChIKeyGUDDOHDMAXKUHP-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.35
Rot. Bonds5

About 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43535672) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43535672
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccco1
InChIInChI=1S/C11H12N2O5S/c1-7(10-3-2-4-18-10)13-19(16,17)8-5-9(11(14)15)12-6-8/h2-7,12-13H,1H3,(H,14,15)
InChIKeyGUDDOHDMAXKUHP-UHFFFAOYSA-N
XLogP1.35
TPSA112.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 167839344
4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701897
4-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81352467
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81400706
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
3-fluoro-4-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390250
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
N-[1-(furan-2-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 60873627
4-fluoro-3-[1-(furan-2-yl)ethylsulfamoyl]benzoic acid
CID 43399440
4-fluoro-3-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]benzoic acid
CID 81390367

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43535672) is 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid is CC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccco1.
What is the InChIKey of 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is GUDDOHDMAXKUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c1-7(10-3-2-4-18-10)13-19(16,17)8-5-9(11(14)15)12-6-8/h2-7,12-13H,1H3,(H,14,15).
What are the key properties of 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43535672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).