4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide

C14H10BrClF3NO3S — CID 3753093

IUPAC4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C14H10BrClF3NO3S/c15-10-5-6-13(12(7-10)23-14(17,18)19)24(21,22)20-8-9-3-1-2-4-11(9)16/h1-7,20H,8H2
InChIKeyZUSKXTKRNOUOKL-UHFFFAOYSA-N
MW444.66 g/mol
LogP4.48
Rot. Bonds5

About 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide

4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3753093) has the molecular formula C14H10BrClF3NO3S and a molecular weight of 444.66 g/mol. Its IUPAC name is 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID3753093
Molecular FormulaC14H10BrClF3NO3S
Molecular Weight444.66 g/mol
Exact Mass442.92
IUPAC Name4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C14H10BrClF3NO3S/c15-10-5-6-13(12(7-10)23-14(17,18)19)24(21,22)20-8-9-3-1-2-4-11(9)16/h1-7,20H,8H2
InChIKeyZUSKXTKRNOUOKL-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.66
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-4-bromo-2-(trifluoromethoxy)benzenesulfonamide
CID 3688444
4-[[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid
CID 174461910
4-bromo-N-(2,2-dimethoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3866448
3-bromo-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3859291
4-bromo-N-(3-hydroxy-2,2-dimethylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3768511
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-[[2-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 62949907
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
4-bromo-N-(2-tert-butylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 3861912
tert-butyl N-[2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]carbamate
CID 162639899
4-bromo-N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 74227940
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 3753093) is 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1ccccc1Cl)c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ZUSKXTKRNOUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3NO3S/c15-10-5-6-13(12(7-10)23-14(17,18)19)24(21,22)20-8-9-3-1-2-4-11(9)16/h1-7,20H,8H2.
What are the key properties of 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide?
4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 444.66 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-chlorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3753093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).