3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide

C8H12BrNO4S2 — CID 61456223

IUPAC3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOCCO)c1sccc1Br
InChIInChI=1S/C8H12BrNO4S2/c9-7-1-6-15-8(7)16(12,13)10-2-4-14-5-3-11/h1,6,10-11H,2-5H2
InChIKeyCIIWSCDWJFZZOP-UHFFFAOYSA-N
MW330.23 g/mol
LogP0.80
Rot. Bonds7

About 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide

3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide (PubChem CID 61456223) has the molecular formula C8H12BrNO4S2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
PubChem CID61456223
Molecular FormulaC8H12BrNO4S2
Molecular Weight330.23 g/mol
Exact Mass328.94
IUPAC Name3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOCCO)c1sccc1Br
InChIInChI=1S/C8H12BrNO4S2/c9-7-1-6-15-8(7)16(12,13)10-2-4-14-5-3-11/h1,6,10-11H,2-5H2
InChIKeyCIIWSCDWJFZZOP-UHFFFAOYSA-N
XLogP0.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[3-(2-bromoethoxy)propyl]thiophene-2-sulfonamide
CID 106304866
3-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 103834752
3-bromo-N-[3-(cyclopropylmethoxy)propyl]thiophene-2-sulfonamide
CID 61072375
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62499441
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113225778
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
CID 61457900
3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(5-hydroxy-4-methylpentyl)thiophene-2-sulfonamide
CID 103858901
3-bromo-N-[3-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 119964647
N-[2-(3-aminophenoxy)ethyl]-3-bromothiophene-2-sulfonamide
CID 61458147
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide (CID 61456223) is 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCOCCO)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide?
The InChIKey is CIIWSCDWJFZZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO4S2/c9-7-1-6-15-8(7)16(12,13)10-2-4-14-5-3-11/h1,6,10-11H,2-5H2.
What are the key properties of 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide?
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide has a molecular weight of 330.23 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61456223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).