5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid

C11H14BrNO6S — CID 62829187

IUPAC5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2(CO)CCCC2)c(Br)o1
InChIInChI=1S/C11H14BrNO6S/c12-9-8(5-7(19-9)10(15)16)20(17,18)13-11(6-14)3-1-2-4-11/h5,13-14H,1-4,6H2,(H,15,16)
InChIKeyNZIFRPVDZSDGCF-UHFFFAOYSA-N
MW368.21 g/mol
LogP1.32
Rot. Bonds5

About 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 62829187) has the molecular formula C11H14BrNO6S and a molecular weight of 368.21 g/mol. Its IUPAC name is 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid
PubChem CID62829187
Molecular FormulaC11H14BrNO6S
Molecular Weight368.21 g/mol
Exact Mass366.97
IUPAC Name5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2(CO)CCCC2)c(Br)o1
InChIInChI=1S/C11H14BrNO6S/c12-9-8(5-7(19-9)10(15)16)20(17,18)13-11(6-14)3-1-2-4-11/h5,13-14H,1-4,6H2,(H,15,16)
InChIKeyNZIFRPVDZSDGCF-UHFFFAOYSA-N
XLogP1.32
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid
CID 106297009
5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
CID 65105358
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
2,4-dibromo-N-[1-(hydroxymethyl)cyclobutyl]benzenesulfonamide
CID 115903054
2-bromo-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62522204
5-bromo-4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 79253717
4-chloro-3-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518209
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid (CID 62829187) is 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2(CO)CCCC2)c(Br)o1.
What is the InChIKey of 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is NZIFRPVDZSDGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO6S/c12-9-8(5-7(19-9)10(15)16)20(17,18)13-11(6-14)3-1-2-4-11/h5,13-14H,1-4,6H2,(H,15,16).
What are the key properties of 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 368.21 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62829187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).