5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid

C12H16BrNO6S — CID 65105358

IUPAC5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2(O)CCCCC2)c(Br)o1
InChIInChI=1S/C12H16BrNO6S/c13-10-9(6-8(20-10)11(15)16)21(18,19)14-7-12(17)4-2-1-3-5-12/h6,14,17H,1-5,7H2,(H,15,16)
InChIKeyUAFAGVHBHQFUSZ-UHFFFAOYSA-N
MW382.23 g/mol
LogP1.71
Rot. Bonds5

About 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 65105358) has the molecular formula C12H16BrNO6S and a molecular weight of 382.23 g/mol. Its IUPAC name is 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID65105358
Molecular FormulaC12H16BrNO6S
Molecular Weight382.23 g/mol
Exact Mass380.99
IUPAC Name5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2(O)CCCCC2)c(Br)o1
InChIInChI=1S/C12H16BrNO6S/c13-10-9(6-8(20-10)11(15)16)21(18,19)14-7-12(17)4-2-1-3-5-12/h6,14,17H,1-5,7H2,(H,15,16)
InChIKeyUAFAGVHBHQFUSZ-UHFFFAOYSA-N
XLogP1.71
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]furan-2-carboxylic acid
CID 62829187
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
5-bromo-4-[[(2S)-2-hydroxypropyl]sulfamoyl]furan-2-carboxylic acid
CID 94608926
4-amino-2-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 102931325
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
4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115358240
5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid
CID 106297009
2-bromo-4-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122783
4-fluoro-3-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 65105759
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
5-bromo-4-[(3-bromophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62830234

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid (CID 65105358) is 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC2(O)CCCCC2)c(Br)o1.
What is the InChIKey of 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is UAFAGVHBHQFUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO6S/c13-10-9(6-8(20-10)11(15)16)21(18,19)14-7-12(17)4-2-1-3-5-12/h6,14,17H,1-5,7H2,(H,15,16).
What are the key properties of 5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(1-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 382.23 g/mol, XLogP of 1.71, 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-hydroxycyclohexyl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 65105358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).