4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C11H14N2O5S — CID 80715171

IUPAC4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CC3CCC2O3)c[nH]1
InChIInChI=1S/C11H14N2O5S/c14-11(15)9-4-7(5-12-9)19(16,17)13-8-3-6-1-2-10(8)18-6/h4-6,8,10,12-13H,1-3H2,(H,14,15)
InChIKeyDRGZJJLQEVGXPX-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.31
Rot. Bonds4

About 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 80715171) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID80715171
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2CC3CCC2O3)c[nH]1
InChIInChI=1S/C11H14N2O5S/c14-11(15)9-4-7(5-12-9)19(16,17)13-8-3-6-1-2-10(8)18-6/h4-6,8,10,12-13H,1-3H2,(H,14,15)
InChIKeyDRGZJJLQEVGXPX-UHFFFAOYSA-N
XLogP0.31
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 6625857
4-(4-Morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 7130946
Ethyl 4-[(cyclohexylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515733
methyl 4-[(2-methylpiperidino)sulfonyl]-1H-pyrrole-2-carboxylate
CID 22551938
1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxylic acid
CID 8899740
4-(1-Pyrrolidinylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 7131113
4-sulfamoyl-1H-pyrrole-2-carboxylic acid
CID 28740523
4-(chlorosulfonyl)-1H-pyrrole-2-carboxylic acid
CID 43217723
methyl 4-(azepan-1-ylsulfonyl)-1H-pyrrole-2-carboxylate
CID 22551924
4-(thiomorpholine-4-sulfonyl)-1H-pyrrole-2-carboxylic acid
CID 28786816
methyl 4-sulfamoyl-1H-pyrrole-2-carboxylate
CID 65382426

Frequently Asked Questions

What is the IUPAC name of 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 80715171) is 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2CC3CCC2O3)c[nH]1.
What is the InChIKey of 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is DRGZJJLQEVGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-11(15)9-4-7(5-12-9)19(16,17)13-8-3-6-1-2-10(8)18-6/h4-6,8,10,12-13H,1-3H2,(H,14,15).
What are the key properties of 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 80715171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).