5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide

C14H16BrNO4S2 — CID 3868034

IUPAC5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H16BrNO4S2/c1-3-19-10-5-6-12(20-4-2)11(9-10)16-22(17,18)14-8-7-13(15)21-14/h5-9,16H,3-4H2,1-2H3
InChIKeyOBFPVBDGMGUTHL-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.11
Rot. Bonds7

About 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide

5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 3868034) has the molecular formula C14H16BrNO4S2 and a molecular weight of 406.32 g/mol. Its IUPAC name is 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
PubChem CID3868034
Molecular FormulaC14H16BrNO4S2
Molecular Weight406.32 g/mol
Exact Mass404.97
IUPAC Name5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H16BrNO4S2/c1-3-19-10-5-6-12(20-4-2)11(9-10)16-22(17,18)14-8-7-13(15)21-14/h5-9,16H,3-4H2,1-2H3
InChIKeyOBFPVBDGMGUTHL-UHFFFAOYSA-N
XLogP4.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(2,5-diethoxyphenyl)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

2-bromo-N-(2,5-diethoxyphenyl)-4-methylbenzenesulfonamide
CID 35530767
N-(2,5-diethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53112129
N-(2,5-diethoxyphenyl)-4-iodobenzenesulfonamide
CID 3792893
5-bromo-N-[3-(2-ethoxyanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 2444026
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
2-[(2,5-diethoxyphenyl)sulfamoyl]propanoic acid
CID 61454221
5-bromo-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 22773592
5-bromo-N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 22773978
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 55913944
5-bromo-1-(cyclopropanecarbonyl)-N-(2,5-diethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505036
N-(2,5-diethoxyphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide (CID 3868034) is 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is OBFPVBDGMGUTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4S2/c1-3-19-10-5-6-12(20-4-2)11(9-10)16-22(17,18)14-8-7-13(15)21-14/h5-9,16H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide?
5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 406.32 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,5-diethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3868034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).