N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide

C9H9BrF3NO2S — CID 118396852

IUPACN-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(Br)cc(C(F)(F)F)c1NS(C)(=O)=O
InChIInChI=1S/C9H9BrF3NO2S/c1-5-3-6(10)4-7(9(11,12)13)8(5)14-17(2,15)16/h3-4,14H,1-2H3
InChIKeyHYCHZVVCWSHGKX-UHFFFAOYSA-N
MW332.14 g/mol
LogP3.15
Rot. Bonds2

About N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide

N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 118396852) has the molecular formula C9H9BrF3NO2S and a molecular weight of 332.14 g/mol. Its IUPAC name is N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID118396852
Molecular FormulaC9H9BrF3NO2S
Molecular Weight332.14 g/mol
Exact Mass330.95
IUPAC NameN-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(Br)cc(C(F)(F)F)c1NS(C)(=O)=O
InChIInChI=1S/C9H9BrF3NO2S/c1-5-3-6(10)4-7(9(11,12)13)8(5)14-17(2,15)16/h3-4,14H,1-2H3
InChIKeyHYCHZVVCWSHGKX-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide (CID 118396852) is N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide is Cc1cc(Br)cc(C(F)(F)F)c1NS(C)(=O)=O.
What is the InChIKey of N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is HYCHZVVCWSHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2S/c1-5-3-6(10)4-7(9(11,12)13)8(5)14-17(2,15)16/h3-4,14H,1-2H3.
What are the key properties of N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide?
N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 332.14 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 118396852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).