6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide

C7H6BrF3N2O3S — CID 134630706

IUPAC6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide
SMILESNc1ccc(OC(F)(F)F)c(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H6BrF3N2O3S/c8-5-4(16-7(9,10)11)2-1-3(12)6(5)17(13,14)15/h1-2H,12H2,(H2,13,14,15)
InChIKeyWDPVGYRKZRJRDU-UHFFFAOYSA-N
MW335.10 g/mol
LogP1.58
Rot. Bonds2

About 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide

6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 134630706) has the molecular formula C7H6BrF3N2O3S and a molecular weight of 335.10 g/mol. Its IUPAC name is 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID134630706
Molecular FormulaC7H6BrF3N2O3S
Molecular Weight335.10 g/mol
Exact Mass333.92
IUPAC Name6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide
SMILESNc1ccc(OC(F)(F)F)c(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H6BrF3N2O3S/c8-5-4(16-7(9,10)11)2-1-3(12)6(5)17(13,14)15/h1-2H,12H2,(H2,13,14,15)
InChIKeyWDPVGYRKZRJRDU-UHFFFAOYSA-N
XLogP1.58
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-iodo-3-(trifluoromethoxy)aniline
CID 119002168
2-methoxy-6-(trifluoromethoxy)benzenesulfonamide
CID 125434816
3-amino-2-bromo-6-(trifluoromethoxy)benzonitrile
CID 131296547
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
3-ethyl-4-(trifluoromethoxy)benzenesulfonamide
CID 170999141
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
2-bromo-3-fluoro-6-(trifluoromethoxy)aniline
CID 118995381
4-sulfanyl-3-(trifluoromethoxy)benzenesulfonamide
CID 170999351
4-nitro-2-(trifluoromethoxy)aniline
CID 56973585
2-[3-bromo-4-(trifluoromethoxy)anilino]ethanesulfonamide
CID 107336163
5-iodo-2-(trifluoromethoxy)benzenesulfonamide
CID 170998338

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide (CID 134630706) is 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide is Nc1ccc(OC(F)(F)F)c(Br)c1S(N)(=O)=O.
What is the InChIKey of 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is WDPVGYRKZRJRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O3S/c8-5-4(16-7(9,10)11)2-1-3(12)6(5)17(13,14)15/h1-2H,12H2,(H2,13,14,15).
What are the key properties of 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide?
6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 335.10 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 134630706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).