5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid

C10H14BrNO5S2 — CID 113437801

IUPAC5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H14BrNO5S2/c1-10(2,17-3)5-12-19(15,16)7-4-6(9(13)14)18-8(7)11/h4,12H,5H2,1-3H3,(H,13,14)
InChIKeyZMBSNUCAXVJSPT-UHFFFAOYSA-N
MW372.26 g/mol
LogP1.91
Rot. Bonds6

About 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid

5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 113437801) has the molecular formula C10H14BrNO5S2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID113437801
Molecular FormulaC10H14BrNO5S2
Molecular Weight372.26 g/mol
Exact Mass370.95
IUPAC Name5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(C(=O)O)sc1Br
InChIInChI=1S/C10H14BrNO5S2/c1-10(2,17-3)5-12-19(15,16)7-4-6(9(13)14)18-8(7)11/h4,12H,5H2,1-3H3,(H,13,14)
InChIKeyZMBSNUCAXVJSPT-UHFFFAOYSA-N
XLogP1.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-4-(methylsulfamoyl)thiophene-2-carboxylic acid
CID 43173202
5-bromo-4-(N,N-dimethylsulfamoyl)thiophene-2-carboxylic acid
CID 43245253
5-Bromo-4-sulfamoylthiophene-2-carboxylic acid
CID 43351490
5-Bromo-4-(morpholinosulfonyl)thiophene-2-carboxylic acid
CID 1253148
5-Bromo-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 43362550
5-Bromo-4-[methyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60892129
5-Bromo-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60950310
5-Bromo-4-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60950702
5-Bromo-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952153
5-Bromo-4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63226572
5-Bromo-4-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 63828211
5-Bromo-4-[methyl(3,3,3-trifluoropropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 65535207

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid (CID 113437801) is 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid is COC(C)(C)CNS(=O)(=O)c1cc(C(=O)O)sc1Br.
What is the InChIKey of 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ZMBSNUCAXVJSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO5S2/c1-10(2,17-3)5-12-19(15,16)7-4-6(9(13)14)18-8(7)11/h4,12H,5H2,1-3H3,(H,13,14).
What are the key properties of 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid?
5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 372.26 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 113437801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).