N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide

C9H9BrF3NO2S — CID 67022057

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(Br)cc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C9H9BrF3NO2S/c1-14(17(2,15)16)8-4-6(9(11,12)13)3-7(10)5-8/h3-5H,1-2H3
InChIKeyPTAIJYMHNXJVSB-UHFFFAOYSA-N
MW332.14 g/mol
LogP2.86
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 67022057) has the molecular formula C9H9BrF3NO2S and a molecular weight of 332.14 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide
PubChem CID67022057
Molecular FormulaC9H9BrF3NO2S
Molecular Weight332.14 g/mol
Exact Mass330.95
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(Br)cc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C9H9BrF3NO2S/c1-14(17(2,15)16)8-4-6(9(11,12)13)3-7(10)5-8/h3-5H,1-2H3
InChIKeyPTAIJYMHNXJVSB-UHFFFAOYSA-N
XLogP2.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide 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-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide (CID 67022057) is N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide is CN(c1cc(Br)cc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is PTAIJYMHNXJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2S/c1-14(17(2,15)16)8-4-6(9(11,12)13)3-7(10)5-8/h3-5H,1-2H3.
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 332.14 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 67022057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).