1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide

C8H7BrF3NO2S — CID 83093168

IUPAC1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7BrF3NO2S/c9-5-16(14,15)13-7-3-1-6(2-4-7)8(10,11)12/h1-4,13H,5H2
InChIKeyHXPPRVLCYRAIPT-UHFFFAOYSA-N
MW318.11 g/mol
LogP2.80
Rot. Bonds3

About 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide

1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 83093168) has the molecular formula C8H7BrF3NO2S and a molecular weight of 318.11 g/mol. Its IUPAC name is 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID83093168
Molecular FormulaC8H7BrF3NO2S
Molecular Weight318.11 g/mol
Exact Mass316.93
IUPAC Name1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7BrF3NO2S/c9-5-16(14,15)13-7-3-1-6(2-4-7)8(10,11)12/h1-4,13H,5H2
InChIKeyHXPPRVLCYRAIPT-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 83092690
1-bromo-N-[4-(2,2,2-trifluoroethoxy)phenyl]methanesulfonamide
CID 83084147
1-(sulfamoylamino)-4-(trifluoromethyl)benzene
CID 10421755
1-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 83086802
1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
3,5-difluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970283
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
N-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]ethanesulfonamide
CID 56528764
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
1-bromo-N-[4-[ethyl(propan-2-yl)amino]phenyl]methanesulfonamide
CID 83084852

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 83093168) is 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(CBr)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is HXPPRVLCYRAIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2S/c9-5-16(14,15)13-7-3-1-6(2-4-7)8(10,11)12/h1-4,13H,5H2.
What are the key properties of 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide?
1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 318.11 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 83093168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).