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

C8H7BrF3NO2S — CID 3734435

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H7BrF3NO2S/c1-16(14,15)13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChIKeyUJSPTOTYUBYUCN-UHFFFAOYSA-N
MW318.11 g/mol
LogP2.84
Rot. Bonds2

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

N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 3734435) has the molecular formula C8H7BrF3NO2S and a molecular weight of 318.11 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID3734435
Molecular FormulaC8H7BrF3NO2S
Molecular Weight318.11 g/mol
Exact Mass316.93
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H7BrF3NO2S/c1-16(14,15)13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3
InChIKeyUJSPTOTYUBYUCN-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-bromo-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 3671592
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-(methylamino)propane-2-sulfonamide
CID 106003246
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3706332
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
4-bromo-N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)aniline
CID 64628921
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 18283976
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823248
4-[[3-aminopropyl(methyl)sulfamoyl]amino]-1-bromo-2-(trifluoromethyl)benzene
CID 106003250
3-[[4-bromo-3-(trifluoromethyl)phenyl]sulfamoyl]-4-methylbenzoic acid
CID 45291384
4-bromo-N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000740
4-bromo-N-(4-chlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000566

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide (CID 3734435) is N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is UJSPTOTYUBYUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2S/c1-16(14,15)13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3.
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 318.11 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 3734435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).