5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C10H9BrF4N2O2S — CID 106208595

IUPAC5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESNc1cc(Br)c(F)c(S(=O)(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C10H9BrF4N2O2S/c11-6-3-5(16)4-7(8(6)12)20(18,19)17-9(1-2-9)10(13,14)15/h3-4,17H,1-2,16H2
InChIKeyMKKUVGGLACEOBI-UHFFFAOYSA-N
MW377.16 g/mol
LogP2.54
Rot. Bonds3

About 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106208595) has the molecular formula C10H9BrF4N2O2S and a molecular weight of 377.16 g/mol. Its IUPAC name is 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106208595
Molecular FormulaC10H9BrF4N2O2S
Molecular Weight377.16 g/mol
Exact Mass375.95
IUPAC Name5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESNc1cc(Br)c(F)c(S(=O)(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C10H9BrF4N2O2S/c11-6-3-5(16)4-7(8(6)12)20(18,19)17-9(1-2-9)10(13,14)15/h3-4,17H,1-2,16H2
InChIKeyMKKUVGGLACEOBI-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.16
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
5-amino-2-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208576
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
3-amino-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208517
5-amino-3-bromo-N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103460051
2-bromo-4-(methylaminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218751
6-amino-N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-3-sulfonamide
CID 106208511
2-bromo-5-(hydroxymethyl)-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218435
5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106211284
5-amino-3-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142080
5-amino-3-bromo-2-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80726436
5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide
CID 106006732

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106208595) is 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is Nc1cc(Br)c(F)c(S(=O)(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is MKKUVGGLACEOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF4N2O2S/c11-6-3-5(16)4-7(8(6)12)20(18,19)17-9(1-2-9)10(13,14)15/h3-4,17H,1-2,16H2.
What are the key properties of 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 377.16 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106208595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).