5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid

C9H10BrNO5S2 — CID 1253148

IUPAC5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Br)s1
InChIInChI=1S/C9H10BrNO5S2/c10-8-7(5-6(17-8)9(12)13)18(14,15)11-1-3-16-4-2-11/h5H,1-4H2,(H,12,13)
InChIKeyVSZXZXHWCRUASB-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.23
Rot. Bonds3

About 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid

5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid (PubChem CID 1253148) has the molecular formula C9H10BrNO5S2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid
PubChem CID1253148
Molecular FormulaC9H10BrNO5S2
Molecular Weight356.22 g/mol
Exact Mass354.92
IUPAC Name5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Br)s1
InChIInChI=1S/C9H10BrNO5S2/c10-8-7(5-6(17-8)9(12)13)18(14,15)11-1-3-16-4-2-11/h5H,1-4H2,(H,12,13)
InChIKeyVSZXZXHWCRUASB-UHFFFAOYSA-N
XLogP1.23
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid (CID 1253148) is 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Br)s1.
What is the InChIKey of 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid?
The InChIKey is VSZXZXHWCRUASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO5S2/c10-8-7(5-6(17-8)9(12)13)18(14,15)11-1-3-16-4-2-11/h5H,1-4H2,(H,12,13).
What are the key properties of 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid?
5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-morpholin-4-ylsulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 1253148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).