5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide

C8H12BrNO3S2 — CID 39456166

IUPAC5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO3S2/c1-2-10(5-6-11)15(12,13)8-4-3-7(9)14-8/h3-4,11H,2,5-6H2,1H3
InChIKeyINGZHEUZJKFAEE-UHFFFAOYSA-N
MW314.23 g/mol
LogP1.51
Rot. Bonds5

About 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide

5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 39456166) has the molecular formula C8H12BrNO3S2 and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID39456166
Molecular FormulaC8H12BrNO3S2
Molecular Weight314.23 g/mol
Exact Mass312.94
IUPAC Name5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNO3S2/c1-2-10(5-6-11)15(12,13)8-4-3-7(9)14-8/h3-4,11H,2,5-6H2,1H3
InChIKeyINGZHEUZJKFAEE-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 79386615
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 106267459
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 40751541
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
3-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-2-methylpropanethioamide
CID 54987817
2-[(5-bromothiophen-2-yl)sulfonyl-ethylamino]-N-tert-butylacetamide
CID 40680174
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
N-(2-hydroxyethyl)-5-methyl-N-propylthiophene-2-sulfonamide
CID 61424596
5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 54937883
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 80577825

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide (CID 39456166) is 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide is CCN(CCO)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is INGZHEUZJKFAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO3S2/c1-2-10(5-6-11)15(12,13)8-4-3-7(9)14-8/h3-4,11H,2,5-6H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide has a molecular weight of 314.23 g/mol, XLogP of 1.51, 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-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 39456166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).