tribromomethanesulfonamide

CH2Br3NO2S — CID 21445274

IUPACtribromomethanesulfonamide
SMILESNS(=O)(=O)C(Br)(Br)Br
InChIInChI=1S/CH2Br3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
InChIKeyNVVLHLOKBDFSII-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.07
Rot. Bonds

About tribromomethanesulfonamide

tribromomethanesulfonamide (PubChem CID 21445274) has the molecular formula CH2Br3NO2S and a molecular weight of 331.81 g/mol. Its IUPAC name is tribromomethanesulfonamide.

Molecular Properties

Compound Nametribromomethanesulfonamide
PubChem CID21445274
Molecular FormulaCH2Br3NO2S
Molecular Weight331.81 g/mol
Exact Mass328.74
IUPAC Nametribromomethanesulfonamide
SMILESNS(=O)(=O)C(Br)(Br)Br
InChIInChI=1S/CH2Br3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
InChIKeyNVVLHLOKBDFSII-UHFFFAOYSA-N
XLogP1.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tribromomethanesulfonamide?
The IUPAC name of tribromomethanesulfonamide (CID 21445274) is tribromomethanesulfonamide.
What is the SMILES notation for tribromomethanesulfonamide?
The canonical SMILES for tribromomethanesulfonamide is NS(=O)(=O)C(Br)(Br)Br.
What is the InChIKey of tribromomethanesulfonamide?
The InChIKey is NVVLHLOKBDFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Br3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7).
What are the key properties of tribromomethanesulfonamide?
tribromomethanesulfonamide has a molecular weight of 331.81 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tribromomethanesulfonamide is sourced from PubChem (CID 21445274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).