4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

C15H13BrF3NO3S — CID 98000732

IUPAC4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13BrF3NO3S/c1-2-23-11-5-3-10(4-6-11)20-24(21,22)12-7-8-14(16)13(9-12)15(17,18)19/h3-9,20H,2H2,1H3
InChIKeyQPFNUFKBAJDYFM-UHFFFAOYSA-N
MW424.24 g/mol
LogP4.67
Rot. Bonds5

About 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 98000732) has the molecular formula C15H13BrF3NO3S and a molecular weight of 424.24 g/mol. Its IUPAC name is 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID98000732
Molecular FormulaC15H13BrF3NO3S
Molecular Weight424.24 g/mol
Exact Mass422.98
IUPAC Name4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13BrF3NO3S/c1-2-23-11-5-3-10(4-6-11)20-24(21,22)12-7-8-14(16)13(9-12)15(17,18)19/h3-9,20H,2H2,1H3
InChIKeyQPFNUFKBAJDYFM-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.24
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-bromo-N-(4-ethoxyphenyl)benzenesulfonamide
CID 62057274
4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000566
4-ethoxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 28560515
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000747
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1013172

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 98000732) is 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QPFNUFKBAJDYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO3S/c1-2-23-11-5-3-10(4-6-11)20-24(21,22)12-7-8-14(16)13(9-12)15(17,18)19/h3-9,20H,2H2,1H3.
What are the key properties of 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 424.24 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 98000732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).