3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide

C15H13BrN2O5S2 — CID 126756718

IUPAC3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1)c1sccc1Br
InChIInChI=1S/C15H13BrN2O5S2/c16-11-6-8-24-13(11)14(19)17-9-1-3-10(4-2-9)25(21,22)18-12-5-7-23-15(12)20/h1-4,6,8,12,18H,5,7H2,(H,17,19)
InChIKeyXKNGCXNLYGUJCO-UHFFFAOYSA-N
MW445.32 g/mol
LogP2.36
Rot. Bonds5

About 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide

3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 126756718) has the molecular formula C15H13BrN2O5S2 and a molecular weight of 445.32 g/mol. Its IUPAC name is 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
PubChem CID126756718
Molecular FormulaC15H13BrN2O5S2
Molecular Weight445.32 g/mol
Exact Mass443.94
IUPAC Name3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1)c1sccc1Br
InChIInChI=1S/C15H13BrN2O5S2/c16-11-6-8-24-13(11)14(19)17-9-1-3-10(4-2-9)25(21,22)18-12-5-7-23-15(12)20/h1-4,6,8,12,18H,5,7H2,(H,17,19)
InChIKeyXKNGCXNLYGUJCO-UHFFFAOYSA-N
XLogP2.36
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide (CID 126756718) is 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is XKNGCXNLYGUJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O5S2/c16-11-6-8-24-13(11)14(19)17-9-1-3-10(4-2-9)25(21,22)18-12-5-7-23-15(12)20/h1-4,6,8,12,18H,5,7H2,(H,17,19).
What are the key properties of 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide?
3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 445.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 126756718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).