4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide

C10H10BrF3N2O2S — CID 67530049

IUPAC4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(NC2CC2)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3N2O2S/c11-5-3-7(10(12,13)14)9(19(15,17)18)8(4-5)16-6-1-2-6/h3-4,6,16H,1-2H2,(H2,15,17,18)
InChIKeyWEJQATYZKSYCSH-UHFFFAOYSA-N
MW359.17 g/mol
LogP2.69
Rot. Bonds3

About 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide

4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 67530049) has the molecular formula C10H10BrF3N2O2S and a molecular weight of 359.17 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID67530049
Molecular FormulaC10H10BrF3N2O2S
Molecular Weight359.17 g/mol
Exact Mass357.96
IUPAC Name4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(NC2CC2)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3N2O2S/c11-5-3-7(10(12,13)14)9(19(15,17)18)8(4-5)16-6-1-2-6/h3-4,6,16H,1-2H2,(H2,15,17,18)
InChIKeyWEJQATYZKSYCSH-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide (CID 67530049) is 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1c(NC2CC2)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WEJQATYZKSYCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O2S/c11-5-3-7(10(12,13)14)9(19(15,17)18)8(4-5)16-6-1-2-6/h3-4,6,16H,1-2H2,(H2,15,17,18).
What are the key properties of 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide?
4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 359.17 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylamino)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67530049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).