5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide

C10H4BrCl4NO2S2 — CID 80578641

IUPAC5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H4BrCl4NO2S2/c11-10-7(15)3-9(19-10)20(17,18)16-8-2-5(13)4(12)1-6(8)14/h1-3,16H
InChIKeyLSYSVJNEBAAPHY-UHFFFAOYSA-N
MW456.00 g/mol
LogP5.93
Rot. Bonds3

About 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide (PubChem CID 80578641) has the molecular formula C10H4BrCl4NO2S2 and a molecular weight of 456.00 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
PubChem CID80578641
Molecular FormulaC10H4BrCl4NO2S2
Molecular Weight456.00 g/mol
Exact Mass452.76
IUPAC Name5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H4BrCl4NO2S2/c11-10-7(15)3-9(19-10)20(17,18)16-8-2-5(13)4(12)1-6(8)14/h1-3,16H
InChIKeyLSYSVJNEBAAPHY-UHFFFAOYSA-N
XLogP5.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.00
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
CID 114296086
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-chlorobenzoic acid
CID 80577224
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
5-bromo-4-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 80579960
5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
CID 80579944
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-4-hydroxybenzoic acid
CID 107264939
5-bromo-4-chloro-N-(3-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 107370257
5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide
CID 80578856
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 104740611
N-(5-bromo-4-chlorothiophen-2-yl)sulfonylacetamide
CID 80580140

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide (CID 80578641) is 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The InChIKey is LSYSVJNEBAAPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl4NO2S2/c11-10-7(15)3-9(19-10)20(17,18)16-8-2-5(13)4(12)1-6(8)14/h1-3,16H.
What are the key properties of 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide has a molecular weight of 456.00 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80578641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).