5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid

C12H16BrNO5S — CID 62803810

IUPAC5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCCCC2)c(Br)o1
InChIInChI=1S/C12H16BrNO5S/c13-11-10(6-9(19-11)12(15)16)20(17,18)14-7-8-4-2-1-3-5-8/h6,8,14H,1-5,7H2,(H,15,16)
InChIKeyJEURMDKVJHHGRB-UHFFFAOYSA-N
MW366.23 g/mol
LogP2.60
Rot. Bonds5

About 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid

5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62803810) has the molecular formula C12H16BrNO5S and a molecular weight of 366.23 g/mol. Its IUPAC name is 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62803810
Molecular FormulaC12H16BrNO5S
Molecular Weight366.23 g/mol
Exact Mass364.99
IUPAC Name5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCCCC2)c(Br)o1
InChIInChI=1S/C12H16BrNO5S/c13-11-10(6-9(19-11)12(15)16)20(17,18)14-7-8-4-2-1-3-5-8/h6,8,14H,1-5,7H2,(H,15,16)
InChIKeyJEURMDKVJHHGRB-UHFFFAOYSA-N
XLogP2.60
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62829354
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920
5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
CID 55119589
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
5-bromo-4-(thiophen-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 63247995
5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid (CID 62803810) is 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC2CCCCC2)c(Br)o1.
What is the InChIKey of 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is JEURMDKVJHHGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO5S/c13-11-10(6-9(19-11)12(15)16)20(17,18)14-7-8-4-2-1-3-5-8/h6,8,14H,1-5,7H2,(H,15,16).
What are the key properties of 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid?
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 366.23 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62803810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).