5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide

C11H9BrClNO4S2 — CID 114764783

IUPAC5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H9BrClNO4S2/c1-18-8-4-2-3-7(15)10(8)14-20(16,17)9-5-6(13)11(12)19-9/h2-5,14-15H,1H3
InChIKeyNUUWHDJXONDPAJ-UHFFFAOYSA-N
MW398.69 g/mol
LogP3.68
Rot. Bonds4

About 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 114764783) has the molecular formula C11H9BrClNO4S2 and a molecular weight of 398.69 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID114764783
Molecular FormulaC11H9BrClNO4S2
Molecular Weight398.69 g/mol
Exact Mass396.88
IUPAC Name5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1cccc(O)c1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H9BrClNO4S2/c1-18-8-4-2-3-7(15)10(8)14-20(16,17)9-5-6(13)11(12)19-9/h2-5,14-15H,1H3
InChIKeyNUUWHDJXONDPAJ-UHFFFAOYSA-N
XLogP3.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.69
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 103293302
4-chloro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764808
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 80578749
4-bromo-2-fluoro-N-(2-hydroxy-6-methoxyphenyl)benzenesulfonamide
CID 114764817
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264939
5-bromo-4-chloro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]thiophene-2-sulfonamide
CID 80577321
5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide
CID 80577549
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
CID 80580140
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide (CID 114764783) is 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide is COc1cccc(O)c1NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is NUUWHDJXONDPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO4S2/c1-18-8-4-2-3-7(15)10(8)14-20(16,17)9-5-6(13)11(12)19-9/h2-5,14-15H,1H3.
What are the key properties of 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 398.69 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114764783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).