N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide

C14H11BrF3NO3S — CID 3858047

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11BrF3NO3S/c1-22-10-3-5-11(6-4-10)23(20,21)19-9-2-7-13(15)12(8-9)14(16,17)18/h2-8,19H,1H3
InChIKeyZCEUQZNLHPPKCC-UHFFFAOYSA-N
MW410.21 g/mol
LogP4.28
Rot. Bonds4

About N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 3858047) has the molecular formula C14H11BrF3NO3S and a molecular weight of 410.21 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
PubChem CID3858047
Molecular FormulaC14H11BrF3NO3S
Molecular Weight410.21 g/mol
Exact Mass408.96
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11BrF3NO3S/c1-22-10-3-5-11(6-4-10)23(20,21)19-9-2-7-13(15)12(8-9)14(16,17)18/h2-8,19H,1H3
InChIKeyZCEUQZNLHPPKCC-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24637623
4-bromo-N-(4-ethoxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000732
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3800442
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332
N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 3734435
N-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370825
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 18283976
4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000566
4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-oxochromene-6-sulfonamide
CID 30713382

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide (CID 3858047) is N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is ZCEUQZNLHPPKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO3S/c1-22-10-3-5-11(6-4-10)23(20,21)19-9-2-7-13(15)12(8-9)14(16,17)18/h2-8,19H,1H3.
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 410.21 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3858047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).