5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid

C12H16BrNO5S2 — CID 106120610

IUPAC5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCCC(O)C2)c(Br)s1
InChIInChI=1S/C12H16BrNO5S2/c13-11-10(5-9(20-11)12(16)17)21(18,19)14-6-7-2-1-3-8(15)4-7/h5,7-8,14-15H,1-4,6H2,(H,16,17)
InChIKeyZWGVCQIJOYPGBZ-UHFFFAOYSA-N
MW398.30 g/mol
LogP2.04
Rot. Bonds5

About 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106120610) has the molecular formula C12H16BrNO5S2 and a molecular weight of 398.30 g/mol. Its IUPAC name is 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106120610
Molecular FormulaC12H16BrNO5S2
Molecular Weight398.30 g/mol
Exact Mass396.97
IUPAC Name5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCCC(O)C2)c(Br)s1
InChIInChI=1S/C12H16BrNO5S2/c13-11-10(5-9(20-11)12(16)17)21(18,19)14-6-7-2-1-3-8(15)4-7/h5,7-8,14-15H,1-4,6H2,(H,16,17)
InChIKeyZWGVCQIJOYPGBZ-UHFFFAOYSA-N
XLogP2.04
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(3-hydroxycyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43696889
5-bromo-4-(2-cyclohexylethylsulfamoyl)thiophene-2-carboxylic acid
CID 60921143
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 63683280
5-bromo-4-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 81042695
5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
4-[(4-hydroxycyclohexyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106120685
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 106120610) is 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC2CCCC(O)C2)c(Br)s1.
What is the InChIKey of 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZWGVCQIJOYPGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO5S2/c13-11-10(5-9(20-11)12(16)17)21(18,19)14-6-7-2-1-3-8(15)4-7/h5,7-8,14-15H,1-4,6H2,(H,16,17).
What are the key properties of 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 398.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-hydroxycyclohexyl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106120610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).