5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid

C13H18BrNO5S — CID 62829354

IUPAC5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C13H18BrNO5S/c1-15(8-9-5-3-2-4-6-9)21(18,19)11-7-10(13(16)17)20-12(11)14/h7,9H,2-6,8H2,1H3,(H,16,17)
InChIKeyMBRYDDLDWVZJIA-UHFFFAOYSA-N
MW380.26 g/mol
LogP2.94
Rot. Bonds5

About 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62829354) has the molecular formula C13H18BrNO5S and a molecular weight of 380.26 g/mol. Its IUPAC name is 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62829354
Molecular FormulaC13H18BrNO5S
Molecular Weight380.26 g/mol
Exact Mass379.01
IUPAC Name5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C13H18BrNO5S/c1-15(8-9-5-3-2-4-6-9)21(18,19)11-7-10(13(16)17)20-12(11)14/h7,9H,2-6,8H2,1H3,(H,16,17)
InChIKeyMBRYDDLDWVZJIA-UHFFFAOYSA-N
XLogP2.94
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid (CID 62829354) is 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid is CN(CC1CCCCC1)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is MBRYDDLDWVZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO5S/c1-15(8-9-5-3-2-4-6-9)21(18,19)11-7-10(13(16)17)20-12(11)14/h7,9H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 380.26 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62829354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).