4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline

C10H12BrF3N2O2S — CID 107575153

IUPAC4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
SMILESCc1cc(NS(=O)(=O)NCC(F)(F)F)cc(C)c1Br
InChIInChI=1S/C10H12BrF3N2O2S/c1-6-3-8(4-7(2)9(6)11)16-19(17,18)15-5-10(12,13)14/h3-4,15-16H,5H2,1-2H3
InChIKeyCZLCUTUSUPGVAR-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.87
Rot. Bonds4

About 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline

4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline (PubChem CID 107575153) has the molecular formula C10H12BrF3N2O2S and a molecular weight of 361.18 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
PubChem CID107575153
Molecular FormulaC10H12BrF3N2O2S
Molecular Weight361.18 g/mol
Exact Mass359.98
IUPAC Name4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
SMILESCc1cc(NS(=O)(=O)NCC(F)(F)F)cc(C)c1Br
InChIInChI=1S/C10H12BrF3N2O2S/c1-6-3-8(4-7(2)9(6)11)16-19(17,18)15-5-10(12,13)14/h3-4,15-16H,5H2,1-2H3
InChIKeyCZLCUTUSUPGVAR-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-3,5-dimethylaniline
CID 12383117
4-Bromo-3,5-bis(trifluoromethyl)aniline
CID 7018041
4-Bromo-3,5-bis(difluoromethyl)aniline
CID 154872923
N-(4-bromo-3-methylphenyl)methanesulfonamide
CID 772005
N-(4-bromo-3-(trifluoromethyl)phenyl)methanesulfonamide
CID 3734435
4-Bromo-3-methyl-5-(trifluoromethyl)aniline
CID 58290597
N-(4-bromo-2-fluoro-5-methylphenyl)methanesulfonamide
CID 67066531
N-[4-bromo-3-(fluoromethyl)phenyl]methanesulfonamide
CID 90181783
4-bromo-N,3-dimethyl-5-(trifluoromethyl)aniline
CID 129132044
N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]thiohydroxylamine
CID 140629449
[4-Bromo-3-(trifluoromethyl)phenyl]sulfamic acid
CID 141756588
4-bromo-N-methylsulfanyl-3-(trifluoromethyl)aniline
CID 144982396

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline (CID 107575153) is 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline is Cc1cc(NS(=O)(=O)NCC(F)(F)F)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The InChIKey is CZLCUTUSUPGVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3N2O2S/c1-6-3-8(4-7(2)9(6)11)16-19(17,18)15-5-10(12,13)14/h3-4,15-16H,5H2,1-2H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline has a molecular weight of 361.18 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline is sourced from PubChem (CID 107575153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).