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

C10H16BrNO3S2 — CID 79386615

IUPAC5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-4-12(7-10(2,3)13)17(14,15)9-6-5-8(11)16-9/h5-6,13H,4,7H2,1-3H3
InChIKeyNAEFOWYNIQCPJS-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.29
Rot. Bonds5

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

5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide (PubChem CID 79386615) has the molecular formula C10H16BrNO3S2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
PubChem CID79386615
Molecular FormulaC10H16BrNO3S2
Molecular Weight342.28 g/mol
Exact Mass340.98
IUPAC Name5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C10H16BrNO3S2/c1-4-12(7-10(2,3)13)17(14,15)9-6-5-8(11)16-9/h5-6,13H,4,7H2,1-3H3
InChIKeyNAEFOWYNIQCPJS-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide (CID 79386615) is 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide is CCN(CC(C)(C)O)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
The InChIKey is NAEFOWYNIQCPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO3S2/c1-4-12(7-10(2,3)13)17(14,15)9-6-5-8(11)16-9/h5-6,13H,4,7H2,1-3H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide?
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide has a molecular weight of 342.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 79386615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).