5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C11H11BrN2O4S2 — CID 106415067

IUPAC5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCn1cccc1CNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H11BrN2O4S2/c1-14-4-2-3-7(14)6-13-20(17,18)9-5-8(11(15)16)19-10(9)12/h2-5,13H,6H2,1H3,(H,15,16)
InChIKeyULKZMPDUNJEBBL-UHFFFAOYSA-N
MW379.26 g/mol
LogP2.03
Rot. Bonds5

About 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106415067) has the molecular formula C11H11BrN2O4S2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106415067
Molecular FormulaC11H11BrN2O4S2
Molecular Weight379.26 g/mol
Exact Mass377.93
IUPAC Name5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCn1cccc1CNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C11H11BrN2O4S2/c1-14-4-2-3-7(14)6-13-20(17,18)9-5-8(11(15)16)19-10(9)12/h2-5,13H,6H2,1H3,(H,15,16)
InChIKeyULKZMPDUNJEBBL-UHFFFAOYSA-N
XLogP2.03
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(5-bromothiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61012975
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774
5-bromo-4-(propylsulfamoyl)thiophene-2-carboxylic acid
CID 43173191
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 113245563
4-chloro-3-[(1-methylpyrrol-2-yl)methylsulfamoyl]benzoic acid
CID 106415051
5-bromo-4-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 43362608
5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 106831690
4-(2-aminoethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 61403030
5-bromo-4-[(3-methoxy-3-oxopropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43665900
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
5-bromo-4-[3-(dimethylamino)propylsulfamoyl]thiophene-2-carboxylic acid
CID 43351443
5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83005831

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 106415067) is 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cn1cccc1CNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ULKZMPDUNJEBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O4S2/c1-14-4-2-3-7(14)6-13-20(17,18)9-5-8(11(15)16)19-10(9)12/h2-5,13H,6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 379.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106415067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).