2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide

C9H10BrF3N2O2S — CID 65491007

IUPAC2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C9H10BrF3N2O2S/c10-7-3-6(9(11,12)13)4-8(5-7)15-18(16,17)2-1-14/h3-5,15H,1-2,14H2
InChIKeyXYWXQQYIVGZOSN-UHFFFAOYSA-N
MW347.16 g/mol
LogP2.17
Rot. Bonds4

About 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide

2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide (PubChem CID 65491007) has the molecular formula C9H10BrF3N2O2S and a molecular weight of 347.16 g/mol. Its IUPAC name is 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide
PubChem CID65491007
Molecular FormulaC9H10BrF3N2O2S
Molecular Weight347.16 g/mol
Exact Mass345.96
IUPAC Name2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C9H10BrF3N2O2S/c10-7-3-6(9(11,12)13)4-8(5-7)15-18(16,17)2-1-14/h3-5,15H,1-2,14H2
InChIKeyXYWXQQYIVGZOSN-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65491204
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanesulfonamide
CID 106066843
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977
3-bromo-N-(2-ethylsulfonylethyl)-5-(trifluoromethyl)aniline
CID 65491817
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026
4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
CID 65491997
2-amino-N-(3,5-difluorophenyl)ethanesulfonamide
CID 16792909
1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 115453437
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 107652535
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-(trifluoromethyl)aniline
CID 65490812
N-(3-aminopropyl)-3-bromo-5-(trifluoromethyl)benzenesulfonamide
CID 119962038
N-[4-[[3-bromo-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
CID 175722887

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide (CID 65491007) is 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide is NCCS(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide?
The InChIKey is XYWXQQYIVGZOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O2S/c10-7-3-6(9(11,12)13)4-8(5-7)15-18(16,17)2-1-14/h3-5,15H,1-2,14H2.
What are the key properties of 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide?
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide has a molecular weight of 347.16 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 65491007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).