N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide

C7H5BrF3NO2S — CID 23274198

IUPACN-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NO2S/c8-5-2-1-3-6(4-5)12-15(13,14)7(9,10)11/h1-4,12H
InChIKeyZDKVEQQBCHJLHT-UHFFFAOYSA-N
MW304.09 g/mol
LogP2.71
Rot. Bonds2

About N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide

N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 23274198) has the molecular formula C7H5BrF3NO2S and a molecular weight of 304.09 g/mol. Its IUPAC name is N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID23274198
Molecular FormulaC7H5BrF3NO2S
Molecular Weight304.09 g/mol
Exact Mass302.92
IUPAC NameN-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C7H5BrF3NO2S/c8-5-2-1-3-6(4-5)12-15(13,14)7(9,10)11/h1-4,12H
InChIKeyZDKVEQQBCHJLHT-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromoaniline
CID 11562
1,1,1-Trifluoro-N-phenylmethanesulfonamide
CID 68012
5-Bromo-2-fluoroaniline
CID 2769407
3-Bromo-4-fluoroaniline
CID 2779286
N-(4-Bromophenyl)methanesulfonamide
CID 706841
N-(2-bromophenyl)methanesulfonamide
CID 3629878
N-(4-bromophenyl)aminosulfonamide
CID 21449436
Methanesulfonamide, N-(2,4-difluorophenyl)-1,1,1-trifluoro-
CID 90085
3-Bromo-2-fluoroaniline
CID 22341891
N'-(3-bromophenyl)-N,N-dimethylsulfamide
CID 315807
P-Fluoro CF3-methanesulfonanilide
CID 2317189
M-Fluoro CF3-methanesulfonanilide
CID 23274155

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide (CID 23274198) is N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ZDKVEQQBCHJLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2S/c8-5-2-1-3-6(4-5)12-15(13,14)7(9,10)11/h1-4,12H.
What are the key properties of N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide?
N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 304.09 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 23274198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).