5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

C11H12BrN3O4S2 — CID 103004774

IUPAC5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCn1nccc1CCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H12BrN3O4S2/c1-15-7(2-4-13-15)3-5-14-21(18,19)9-6-8(11(16)17)20-10(9)12/h2,4,6,14H,3,5H2,1H3,(H,16,17)
InChIKeyFCMZOMIXXGVAIS-UHFFFAOYSA-N
MW394.27 g/mol
LogP1.46
Rot. Bonds6

About 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 103004774) has the molecular formula C11H12BrN3O4S2 and a molecular weight of 394.27 g/mol. Its IUPAC name is 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID103004774
Molecular FormulaC11H12BrN3O4S2
Molecular Weight394.27 g/mol
Exact Mass392.95
IUPAC Name5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
SMILESCn1nccc1CCNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H12BrN3O4S2/c1-15-7(2-4-13-15)3-5-14-21(18,19)9-6-8(11(16)17)20-10(9)12/h2,4,6,14H,3,5H2,1H3,(H,16,17)
InChIKeyFCMZOMIXXGVAIS-UHFFFAOYSA-N
XLogP1.46
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106414877
5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106415067
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 103004685
5-bromo-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 106395240
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-bromo-4-(4-methylsulfanylbutylsulfamoyl)thiophene-2-carboxylic acid
CID 113437789
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
5-bromo-4-[(5-bromothiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61012975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid (CID 103004774) is 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is Cn1nccc1CCNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is FCMZOMIXXGVAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O4S2/c1-15-7(2-4-13-15)3-5-14-21(18,19)9-6-8(11(16)17)20-10(9)12/h2,4,6,14H,3,5H2,1H3,(H,16,17).
What are the key properties of 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 394.27 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103004774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).