1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide

C8H13BrF3NO2S — CID 83092336

IUPAC1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
SMILESO=S(=O)(CBr)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C8H13BrF3NO2S/c9-5-16(14,15)13-7-4-2-1-3-6(7)8(10,11)12/h6-7,13H,1-5H2
InChIKeyRVMGYYFEEHAAJA-UHFFFAOYSA-N
MW324.16 g/mol
LogP2.38
Rot. Bonds3

About 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide

1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide (PubChem CID 83092336) has the molecular formula C8H13BrF3NO2S and a molecular weight of 324.16 g/mol. Its IUPAC name is 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
PubChem CID83092336
Molecular FormulaC8H13BrF3NO2S
Molecular Weight324.16 g/mol
Exact Mass322.98
IUPAC Name1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
SMILESO=S(=O)(CBr)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C8H13BrF3NO2S/c9-5-16(14,15)13-7-4-2-1-3-6(7)8(10,11)12/h6-7,13H,1-5H2
InChIKeyRVMGYYFEEHAAJA-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 52.38
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 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide (CID 83092336) is 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide is O=S(=O)(CBr)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide?
The InChIKey is RVMGYYFEEHAAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF3NO2S/c9-5-16(14,15)13-7-4-2-1-3-6(7)8(10,11)12/h6-7,13H,1-5H2.
What are the key properties of 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide?
1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide has a molecular weight of 324.16 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 83092336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).