4-bromo-N-(trifluoromethylsulfonyl)benzamide

C8H5BrF3NO3S — CID 155621449

IUPAC4-bromo-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C8H5BrF3NO3S/c9-6-3-1-5(2-4-6)7(14)13-17(15,16)8(10,11)12/h1-4H,(H,13,14)
InChIKeyFTMISGMENLQURI-UHFFFAOYSA-N
MW332.10 g/mol
LogP2.03
Rot. Bonds2

About 4-bromo-N-(trifluoromethylsulfonyl)benzamide

4-bromo-N-(trifluoromethylsulfonyl)benzamide (PubChem CID 155621449) has the molecular formula C8H5BrF3NO3S and a molecular weight of 332.10 g/mol. Its IUPAC name is 4-bromo-N-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(trifluoromethylsulfonyl)benzamide
PubChem CID155621449
Molecular FormulaC8H5BrF3NO3S
Molecular Weight332.10 g/mol
Exact Mass330.91
IUPAC Name4-bromo-N-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C8H5BrF3NO3S/c9-6-3-1-5(2-4-6)7(14)13-17(15,16)8(10,11)12/h1-4H,(H,13,14)
InChIKeyFTMISGMENLQURI-UHFFFAOYSA-N
XLogP2.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of 4-bromo-N-(trifluoromethylsulfonyl)benzamide (CID 155621449) is 4-bromo-N-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for 4-bromo-N-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for 4-bromo-N-(trifluoromethylsulfonyl)benzamide is O=C(NS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(trifluoromethylsulfonyl)benzamide?
The InChIKey is FTMISGMENLQURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO3S/c9-6-3-1-5(2-4-6)7(14)13-17(15,16)8(10,11)12/h1-4H,(H,13,14).
What are the key properties of 4-bromo-N-(trifluoromethylsulfonyl)benzamide?
4-bromo-N-(trifluoromethylsulfonyl)benzamide has a molecular weight of 332.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 155621449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).