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

C8H7BrF3NO2S — CID 166522503

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

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

N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 166522503) has the molecular formula C8H7BrF3NO2S and a molecular weight of 318.11 g/mol. Its IUPAC name is N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID166522503
Molecular FormulaC8H7BrF3NO2S
Molecular Weight318.11 g/mol
Exact Mass316.93
IUPAC NameN-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)c(Br)c1
InChIInChI=1S/C8H7BrF3NO2S/c1-16(14,15)13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4,13H,1H3
InChIKeySVWPXUKMTATADO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide (CID 166522503) is N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(F)(F)F)c(Br)c1.
What is the InChIKey of N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is SVWPXUKMTATADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2S/c1-16(14,15)13-5-2-3-6(7(9)4-5)8(10,11)12/h2-4,13H,1H3.
What are the key properties of N-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[3-bromo-4-(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-[3-bromo-4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 166522503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).