4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline

C8H8BrF3N2O2S — CID 114808728

IUPAC4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline
SMILESO=S(=O)(NCC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C8H8BrF3N2O2S/c9-6-1-3-7(4-2-6)14-17(15,16)13-5-8(10,11)12/h1-4,13-14H,5H2
InChIKeyGNTKXLKXOXCUOV-UHFFFAOYSA-N
MW333.13 g/mol
LogP2.26
Rot. Bonds4

About 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline

4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline (PubChem CID 114808728) has the molecular formula C8H8BrF3N2O2S and a molecular weight of 333.13 g/mol. Its IUPAC name is 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline
PubChem CID114808728
Molecular FormulaC8H8BrF3N2O2S
Molecular Weight333.13 g/mol
Exact Mass331.94
IUPAC Name4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline
SMILESO=S(=O)(NCC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C8H8BrF3N2O2S/c9-6-1-3-7(4-2-6)14-17(15,16)13-5-8(10,11)12/h1-4,13-14H,5H2
InChIKeyGNTKXLKXOXCUOV-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(2,2,2-trifluoroethylsulfamoyl)naphthalen-2-amine
CID 114808909
4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 107575153
4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114803608
2-[4-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanethioamide
CID 114808277
3-[2-fluoro-5-(2,2,2-trifluoroethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812028
1-[3-(2,2,2-trifluoroethylsulfamoylamino)phenyl]ethanone
CID 114808702
5-bromo-3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804603
2-N-(2,2,2-trifluoroethylsulfamoyl)benzene-1,2-diamine
CID 114804202
3-iodo-2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 114257227
4-bromo-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2212078
2-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyrimidin-4-amine
CID 114813679
3-chloro-N-(2,2,2-trifluoroethylsulfamoyl)pyridin-2-amine
CID 103094565

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The IUPAC name of 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline (CID 114808728) is 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline.
What is the SMILES notation for 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The canonical SMILES for 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline is O=S(=O)(NCC(F)(F)F)Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
The InChIKey is GNTKXLKXOXCUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O2S/c9-6-1-3-7(4-2-6)14-17(15,16)13-5-8(10,11)12/h1-4,13-14H,5H2.
What are the key properties of 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline?
4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline has a molecular weight of 333.13 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2,2-trifluoroethylsulfamoyl)aniline is sourced from PubChem (CID 114808728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).