5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide

C8H12BrNO3S2 — CID 59406273

IUPAC5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO3S2/c1-8(2,11)5-10-15(12,13)7-4-3-6(9)14-7/h3-4,10-11H,5H2,1-2H3
InChIKeyFJPIRLUCPDLZCI-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.56
Rot. Bonds4

About 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide

5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 59406273) has the molecular formula C8H12BrNO3S2 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
PubChem CID59406273
Molecular FormulaC8H12BrNO3S2
Molecular Weight314.23 g/mol
Exact Mass312.94
IUPAC Name5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO3S2/c1-8(2,11)5-10-15(12,13)7-4-3-6(9)14-7/h3-4,10-11H,5H2,1-2H3
InChIKeyFJPIRLUCPDLZCI-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide (CID 59406273) is 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide is CC(C)(O)CNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is FJPIRLUCPDLZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO3S2/c1-8(2,11)5-10-15(12,13)7-4-3-6(9)14-7/h3-4,10-11H,5H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 314.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 59406273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).