5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide

C10H6BrF3N2O2S — CID 166153357

IUPAC5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c(Br)c1
InChIInChI=1S/C10H6BrF3N2O2S/c11-10-1-5(4-15-10)19(17,18)16-9-3-7(13)6(12)2-8(9)14/h1-4,15-16H
InChIKeyQQKNYGMCTONZJZ-UHFFFAOYSA-N
MW355.14 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide

5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide (PubChem CID 166153357) has the molecular formula C10H6BrF3N2O2S and a molecular weight of 355.14 g/mol. Its IUPAC name is 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
PubChem CID166153357
Molecular FormulaC10H6BrF3N2O2S
Molecular Weight355.14 g/mol
Exact Mass353.93
IUPAC Name5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c(Br)c1
InChIInChI=1S/C10H6BrF3N2O2S/c11-10-1-5(4-15-10)19(17,18)16-9-3-7(13)6(12)2-8(9)14/h1-4,15-16H
InChIKeyQQKNYGMCTONZJZ-UHFFFAOYSA-N
XLogP3.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102854641
N-(4-bromo-2,5-difluorophenyl)-5-cyclobutyl-1H-pyrrole-3-sulfonamide
CID 166153216
3-amino-4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 115329248
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
5-cyclobutyl-N-[2,5-difluoro-4-(trifluoromethyl)phenyl]-1H-pyrrole-3-sulfonamide
CID 166153951
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595
4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65467761
3-bromo-4-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 106612798
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide (CID 166153357) is 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide is O=S(=O)(Nc1cc(F)c(F)cc1F)c1c[nH]c(Br)c1.
What is the InChIKey of 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is QQKNYGMCTONZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O2S/c11-10-1-5(4-15-10)19(17,18)16-9-3-7(13)6(12)2-8(9)14/h1-4,15-16H.
What are the key properties of 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide?
5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 355.14 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4,5-trifluorophenyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 166153357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).