methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate

C11H16BrNO4S2 — CID 42960420

IUPACmethyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(C)C(C)C)c(Br)s1
InChIInChI=1S/C11H16BrNO4S2/c1-6(2)7(3)13-19(15,16)9-5-8(11(14)17-4)18-10(9)12/h5-7,13H,1-4H3
InChIKeyOYYXFQYYAAWAKO-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.62
Rot. Bonds5

About methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate

methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 42960420) has the molecular formula C11H16BrNO4S2 and a molecular weight of 370.29 g/mol. Its IUPAC name is methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID42960420
Molecular FormulaC11H16BrNO4S2
Molecular Weight370.29 g/mol
Exact Mass368.97
IUPAC Namemethyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NC(C)C(C)C)c(Br)s1
InChIInChI=1S/C11H16BrNO4S2/c1-6(2)7(3)13-19(15,16)9-5-8(11(14)17-4)18-10(9)12/h5-7,13H,1-4H3
InChIKeyOYYXFQYYAAWAKO-UHFFFAOYSA-N
XLogP2.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate (CID 42960420) is methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NC(C)C(C)C)c(Br)s1.
What is the InChIKey of methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is OYYXFQYYAAWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO4S2/c1-6(2)7(3)13-19(15,16)9-5-8(11(14)17-4)18-10(9)12/h5-7,13H,1-4H3.
What are the key properties of methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate?
methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 370.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-4-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 42960420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).