4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid

C13H16BrNO4S2 — CID 63683280

IUPAC4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CC3CCC2C3)c(Br)s1
InChIInChI=1S/C13H16BrNO4S2/c14-12-11(5-10(20-12)13(16)17)21(18,19)15-6-9-4-7-1-2-8(9)3-7/h5,7-9,15H,1-4,6H2,(H,16,17)
InChIKeyCGKCLNATGJRKMM-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.92
Rot. Bonds5

About 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid

4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid (PubChem CID 63683280) has the molecular formula C13H16BrNO4S2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
PubChem CID63683280
Molecular FormulaC13H16BrNO4S2
Molecular Weight394.31 g/mol
Exact Mass392.97
IUPAC Name4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CC3CCC2C3)c(Br)s1
InChIInChI=1S/C13H16BrNO4S2/c14-12-11(5-10(20-12)13(16)17)21(18,19)15-6-9-4-7-1-2-8(9)3-7/h5,7-9,15H,1-4,6H2,(H,16,17)
InChIKeyCGKCLNATGJRKMM-UHFFFAOYSA-N
XLogP2.92
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106120610
5-bromo-4-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 81042695
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
5-bromo-4-(2-cyclohexylethylsulfamoyl)thiophene-2-carboxylic acid
CID 60921143
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362494
5-methyl-4-[(2-methylcyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 107416766
5-bromo-4-[(5-bromothiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61012975
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[3-(2-hydroxyethoxy)propylsulfamoyl]thiophene-2-carboxylic acid
CID 106305253
5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43696889
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993731

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid (CID 63683280) is 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC2CC3CCC2C3)c(Br)s1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid?
The InChIKey is CGKCLNATGJRKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4S2/c14-12-11(5-10(20-12)13(16)17)21(18,19)15-6-9-4-7-1-2-8(9)3-7/h5,7-9,15H,1-4,6H2,(H,16,17).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid?
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid has a molecular weight of 394.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid is sourced from PubChem (CID 63683280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).