5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide

C12H11BrClNO3S2 — CID 80578716

IUPAC5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C12H11BrClNO3S2/c1-2-18-9-5-3-4-8(6-9)15-20(16,17)11-7-10(14)12(13)19-11/h3-7,15H,2H2,1H3
InChIKeyQBYXQANRHLNVFF-UHFFFAOYSA-N
MW396.72 g/mol
LogP4.36
Rot. Bonds5

About 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 80578716) has the molecular formula C12H11BrClNO3S2 and a molecular weight of 396.72 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
PubChem CID80578716
Molecular FormulaC12H11BrClNO3S2
Molecular Weight396.72 g/mol
Exact Mass394.91
IUPAC Name5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
SMILESCCOc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1
InChIInChI=1S/C12H11BrClNO3S2/c1-2-18-9-5-3-4-8(6-9)15-20(16,17)11-7-10(14)12(13)19-11/h3-7,15H,2H2,1H3
InChIKeyQBYXQANRHLNVFF-UHFFFAOYSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.72
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849
5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 80578749
N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577855
5-bromo-4-chloro-N-[3-[(dimethylamino)methyl]phenyl]thiophene-2-sulfonamide
CID 80578453
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56796394
5-bromo-4-chloro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 80577321
N-(3-ethoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106012448
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
CID 114764783
2-amino-5-bromo-N-(3-ethoxyphenyl)pyridine-3-sulfonamide
CID 62156694
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 103293302

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide (CID 80578716) is 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide is CCOc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)c1.
What is the InChIKey of 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is QBYXQANRHLNVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO3S2/c1-2-18-9-5-3-4-8(6-9)15-20(16,17)11-7-10(14)12(13)19-11/h3-7,15H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 396.72 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).