5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide

C17H17BrF3NO5S — CID 26983087

IUPAC5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C17H17BrF3NO5S/c1-25-7-8-27-14-5-3-11(17(19,20)21)9-13(14)22-28(23,24)16-10-12(18)4-6-15(16)26-2/h3-6,9-10,22H,7-8H2,1-2H3
InChIKeyAMTBEPARZOBBPE-UHFFFAOYSA-N
MW484.29 g/mol
LogP4.30
Rot. Bonds8

About 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide

5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 26983087) has the molecular formula C17H17BrF3NO5S and a molecular weight of 484.29 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID26983087
Molecular FormulaC17H17BrF3NO5S
Molecular Weight484.29 g/mol
Exact Mass483.00
IUPAC Name5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C17H17BrF3NO5S/c1-25-7-8-27-14-5-3-11(17(19,20)21)9-13(14)22-28(23,24)16-10-12(18)4-6-15(16)26-2/h3-6,9-10,22H,7-8H2,1-2H3
InChIKeyAMTBEPARZOBBPE-UHFFFAOYSA-N
XLogP4.30
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
5-chloro-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55879939
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596
N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3673707
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-bromobenzoate
CID 16539970
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3670999
4-bromo-N-[3-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 26177457
5-bromo-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 54787042
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide
CID 3847210
N-(2-aminophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43605604
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 26983087) is 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide is COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is AMTBEPARZOBBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF3NO5S/c1-25-7-8-27-14-5-3-11(17(19,20)21)9-13(14)22-28(23,24)16-10-12(18)4-6-15(16)26-2/h3-6,9-10,22H,7-8H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 484.29 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26983087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).