2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide

C8H7BrF3NO2S — CID 122525641

IUPAC2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C8H7BrF3NO2S/c1-4-2-5(8(10,11)12)3-6(7(4)9)16(13,14)15/h2-3H,1H3,(H2,13,14,15)
InChIKeyVITLHFDPLMEWDM-UHFFFAOYSA-N
MW318.11 g/mol
LogP2.42
Rot. Bonds1

About 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide

2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 122525641) has the molecular formula C8H7BrF3NO2S and a molecular weight of 318.11 g/mol. Its IUPAC name is 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID122525641
Molecular FormulaC8H7BrF3NO2S
Molecular Weight318.11 g/mol
Exact Mass316.93
IUPAC Name2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C8H7BrF3NO2S/c1-4-2-5(8(10,11)12)3-6(7(4)9)16(13,14)15/h2-3H,1H3,(H2,13,14,15)
InChIKeyVITLHFDPLMEWDM-UHFFFAOYSA-N
XLogP2.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide (CID 122525641) is 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide is Cc1cc(C(F)(F)F)cc(S(N)(=O)=O)c1Br.
What is the InChIKey of 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VITLHFDPLMEWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2S/c1-4-2-5(8(10,11)12)3-6(7(4)9)16(13,14)15/h2-3H,1H3,(H2,13,14,15).
What are the key properties of 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide?
2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 318.11 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122525641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).