2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide

C8H11Br2NO3S2 — CID 60956798

IUPAC2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C8H11Br2NO3S2/c1-2-11(3-4-12)16(13,14)6-5-7(9)15-8(6)10/h5,12H,2-4H2,1H3
InChIKeyYJFXAGIKFNHUCP-UHFFFAOYSA-N
MW393.12 g/mol
LogP2.28
Rot. Bonds5

About 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide

2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide (PubChem CID 60956798) has the molecular formula C8H11Br2NO3S2 and a molecular weight of 393.12 g/mol. Its IUPAC name is 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
PubChem CID60956798
Molecular FormulaC8H11Br2NO3S2
Molecular Weight393.12 g/mol
Exact Mass390.85
IUPAC Name2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C8H11Br2NO3S2/c1-2-11(3-4-12)16(13,14)6-5-7(9)15-8(6)10/h5,12H,2-4H2,1H3
InChIKeyYJFXAGIKFNHUCP-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,5-dibromo-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 62114424
2,5-dibromo-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 43574662
5-bromo-4-[ethyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113468643
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
2,5-dibromo-N-ethyl-N-(piperidin-4-ylmethyl)thiophene-3-sulfonamide
CID 79716659
2,5-dibromo-N,N-dimethylthiophene-3-sulfonamide
CID 60652197
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
5-bromo-N-ethyl-N-(3-hydroxypropyl)-4-methylthiophene-2-sulfonamide
CID 115755413
5-bromo-4-chloro-N-(2-hydroxyethyl)-N-propylthiophene-2-sulfonamide
CID 80577825
2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide
CID 103103884
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide (CID 60956798) is 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide is CCN(CCO)S(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
The InChIKey is YJFXAGIKFNHUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Br2NO3S2/c1-2-11(3-4-12)16(13,14)6-5-7(9)15-8(6)10/h5,12H,2-4H2,1H3.
What are the key properties of 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide?
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide has a molecular weight of 393.12 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 60956798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).