5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid

C10H14BrN3O4S2 — CID 83005831

IUPAC5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN1CCN(NS(=O)(=O)c2cc(C(=O)O)sc2Br)CC1
InChIInChI=1S/C10H14BrN3O4S2/c1-13-2-4-14(5-3-13)12-20(17,18)8-6-7(10(15)16)19-9(8)11/h6,12H,2-5H2,1H3,(H,15,16)
InChIKeyXXMLGBGKNWVEAV-UHFFFAOYSA-N
MW384.28 g/mol
LogP0.65
Rot. Bonds4

About 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 83005831) has the molecular formula C10H14BrN3O4S2 and a molecular weight of 384.28 g/mol. Its IUPAC name is 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID83005831
Molecular FormulaC10H14BrN3O4S2
Molecular Weight384.28 g/mol
Exact Mass382.96
IUPAC Name5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCN1CCN(NS(=O)(=O)c2cc(C(=O)O)sc2Br)CC1
InChIInChI=1S/C10H14BrN3O4S2/c1-13-2-4-14(5-3-13)12-20(17,18)8-6-7(10(15)16)19-9(8)11/h6,12H,2-5H2,1H3,(H,15,16)
InChIKeyXXMLGBGKNWVEAV-UHFFFAOYSA-N
XLogP0.65
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106185553
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83023744
5-bromo-4-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362494
4-(azocan-1-ylsulfonyl)-5-bromothiophene-2-carboxylic acid
CID 43173264
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106415067
5-bromo-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 43714248
5-bromo-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60780487

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid (CID 83005831) is 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid is CN1CCN(NS(=O)(=O)c2cc(C(=O)O)sc2Br)CC1.
What is the InChIKey of 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is XXMLGBGKNWVEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O4S2/c1-13-2-4-14(5-3-13)12-20(17,18)8-6-7(10(15)16)19-9(8)11/h6,12H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 384.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 83005831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).