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

C10H5BrF3NO2S2 — CID 55119423

IUPAC3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)c(F)c1)c1sccc1Br
InChIInChI=1S/C10H5BrF3NO2S2/c11-6-1-2-18-10(6)19(16,17)15-5-3-7(12)9(14)8(13)4-5/h1-4,15H
InChIKeyQJORJTVFJHLNDF-UHFFFAOYSA-N
MW372.19 g/mol
LogP3.73
Rot. Bonds3

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

3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide (PubChem CID 55119423) has the molecular formula C10H5BrF3NO2S2 and a molecular weight of 372.19 g/mol. Its IUPAC name is 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
PubChem CID55119423
Molecular FormulaC10H5BrF3NO2S2
Molecular Weight372.19 g/mol
Exact Mass370.89
IUPAC Name3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)c(F)c1)c1sccc1Br
InChIInChI=1S/C10H5BrF3NO2S2/c11-6-1-2-18-10(6)19(16,17)15-5-3-7(12)9(14)8(13)4-5/h1-4,15H
InChIKeyQJORJTVFJHLNDF-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
CID 61062460
3-bromo-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 61063599
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972
N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 61061547
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239
3-bromo-N-[3-[1-(methylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 61458006
3-bromo-N-(4-bromo-2,6-dichlorophenyl)thiophene-2-sulfonamide
CID 61456465
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
5-[(3-bromothiophen-2-yl)sulfonylamino]-2-chlorobenzoic acid
CID 61458150

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide (CID 55119423) is 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide?
The InChIKey is QJORJTVFJHLNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO2S2/c11-6-1-2-18-10(6)19(16,17)15-5-3-7(12)9(14)8(13)4-5/h1-4,15H.
What are the key properties of 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide?
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide has a molecular weight of 372.19 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55119423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).