3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide

C6H8BrNO3S2 — CID 19370784

IUPAC3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1C(O)CBr
InChIInChI=1S/C6H8BrNO3S2/c7-3-5(9)4-1-2-12-6(4)13(8,10)11/h1-2,5,9H,3H2,(H2,8,10,11)
InChIKeyBMSPBDMNFTVVJE-UHFFFAOYSA-N
MW286.17 g/mol
LogP0.82
Rot. Bonds3

About 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide

3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 19370784) has the molecular formula C6H8BrNO3S2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID19370784
Molecular FormulaC6H8BrNO3S2
Molecular Weight286.17 g/mol
Exact Mass284.91
IUPAC Name3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1sccc1C(O)CBr
InChIInChI=1S/C6H8BrNO3S2/c7-3-5(9)4-1-2-12-6(4)13(8,10)11/h1-2,5,9H,3H2,(H2,8,10,11)
InChIKeyBMSPBDMNFTVVJE-UHFFFAOYSA-N
XLogP0.82
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 13763146
4-Hydroxy-7-oxo-4,5,6,7-tetrahydro-7lambda*4*-thieno[2,3-b]thiopyran-2-sulfonic acid amide
CID 13763150
5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
CID 13617012
(4R)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 13617013
(4S)-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 13617014
3-[(1S)-2-bromo-1-hydroxyethyl]thiophene-2-sulfonamide
CID 68492343
(4R,7S)-4-Hydroxy-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-7-ium-7-olate
CID 177839312
4-(1-Hydroxyethyl)-2-thiophenesulfonamide
CID 10013252
5-bromo-4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 13911615
4-(1-Hydroxypropyl)-5-methylsulfonylthiophene-2-sulfonamide
CID 14700386
4-(1-Hydroxyethyl)-5-methylsulfonylthiophene-2-sulfonamide
CID 14700390
4-(1-Hydroxyethyl)-5-methylsulfanylthiophene-2-sulfonamide
CID 14700391

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide (CID 19370784) is 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide is NS(=O)(=O)c1sccc1C(O)CBr.
What is the InChIKey of 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is BMSPBDMNFTVVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO3S2/c7-3-5(9)4-1-2-12-6(4)13(8,10)11/h1-2,5,9H,3H2,(H2,8,10,11).
What are the key properties of 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide?
3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide has a molecular weight of 286.17 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 19370784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).