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

C10H5BrCl3NO2S2 — CID 61456145

IUPAC3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1sccc1Br
InChIInChI=1S/C10H5BrCl3NO2S2/c11-5-1-2-18-10(5)19(16,17)15-9-4-7(13)6(12)3-8(9)14/h1-4,15H
InChIKeyKOYFFVHQQCNLDO-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.27
Rot. Bonds3

About 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide

3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide (PubChem CID 61456145) has the molecular formula C10H5BrCl3NO2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
PubChem CID61456145
Molecular FormulaC10H5BrCl3NO2S2
Molecular Weight421.55 g/mol
Exact Mass418.80
IUPAC Name3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1sccc1Br
InChIInChI=1S/C10H5BrCl3NO2S2/c11-5-1-2-18-10(5)19(16,17)15-9-4-7(13)6(12)3-8(9)14/h1-4,15H
InChIKeyKOYFFVHQQCNLDO-UHFFFAOYSA-N
XLogP5.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.27
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

3-bromo-N-(2,5-dichloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113319012
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
3-bromo-N-(4-bromo-2,3-dichlorophenyl)thiophene-2-sulfonamide
CID 107792932
3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
CID 107629908
N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239
3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
N-(4-amino-2-methylphenyl)-3-bromothiophene-2-sulfonamide
CID 54947088
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150
3-bromo-N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81495157
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
2-[(3-bromothiophen-2-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814262

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide (CID 61456145) is 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
The InChIKey is KOYFFVHQQCNLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrCl3NO2S2/c11-5-1-2-18-10(5)19(16,17)15-9-4-7(13)6(12)3-8(9)14/h1-4,15H.
What are the key properties of 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide?
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide has a molecular weight of 421.55 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61456145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).