4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide

C12H11Br2NO3S2 — CID 3566476

IUPAC4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H11Br2NO3S2/c13-9-6-11(19-12(9)14)20(17,18)15-7-10(16)8-4-2-1-3-5-8/h1-6,10,15-16H,7H2
InChIKeyOASCLEKSLZHTBT-UHFFFAOYSA-N
MW441.17 g/mol
LogP3.29
Rot. Bonds5

About 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide

4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide (PubChem CID 3566476) has the molecular formula C12H11Br2NO3S2 and a molecular weight of 441.17 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide
PubChem CID3566476
Molecular FormulaC12H11Br2NO3S2
Molecular Weight441.17 g/mol
Exact Mass438.85
IUPAC Name4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccccc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H11Br2NO3S2/c13-9-6-11(19-12(9)14)20(17,18)15-7-10(16)8-4-2-1-3-5-8/h1-6,10,15-16H,7H2
InChIKeyOASCLEKSLZHTBT-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.17
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}-5-methylthiophene-2-sulfonamide
CID 56765475
5-bromo-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)thiophene-2-sulfonamide
CID 56765494
5-bromo-N-(2-hydroxy-2-phenylpropyl)thiophene-2-sulfonamide
CID 56765391
5-Bromothiophene-2-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide
CID 21098651
3-Amino-1-(5-bromothiophen-2-yl)-2-(4-fluorophenyl)propan-1-ol
CID 65185226
3-Amino-1-(5-bromothiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185820
3-Amino-1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propan-1-ol
CID 65190748
5-bromo-2-fluoro-3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 65730972
N-[(5-bromothiophen-2-yl)methyl]-2,4-difluoro-3-(hydroxymethyl)benzenesulfonamide
CID 65732180
N-[(5-bromothiophen-2-yl)methyl]-2-fluoro-5-(hydroxymethyl)benzenesulfonamide
CID 65732750
N-[(5-bromothiophen-2-yl)methyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 65732948
N-[(4-bromothiophen-2-yl)methyl]-2,4-difluoro-3-(hydroxymethyl)benzenesulfonamide
CID 65732951

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide?
The IUPAC name of 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide (CID 3566476) is 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide is O=S(=O)(NCC(O)c1ccccc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide?
The InChIKey is OASCLEKSLZHTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO3S2/c13-9-6-11(19-12(9)14)20(17,18)15-7-10(16)8-4-2-1-3-5-8/h1-6,10,15-16H,7H2.
What are the key properties of 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide?
4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide has a molecular weight of 441.17 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3566476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).