2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H11Br2F3N2O3S — CID 61140841

IUPAC2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H11Br2F3N2O3S/c11-6-3-7(12)9(8(16)4-6)21(19,20)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5,16H2
InChIKeySUPVSYABMVLIQL-UHFFFAOYSA-N
MW456.08 g/mol
LogP2.34
Rot. Bonds5

About 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61140841) has the molecular formula C10H11Br2F3N2O3S and a molecular weight of 456.08 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61140841
Molecular FormulaC10H11Br2F3N2O3S
Molecular Weight456.08 g/mol
Exact Mass453.88
IUPAC Name2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H11Br2F3N2O3S/c11-6-3-7(12)9(8(16)4-6)21(19,20)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5,16H2
InChIKeySUPVSYABMVLIQL-UHFFFAOYSA-N
XLogP2.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.08
LogP ≤ 52.34
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-amino-4,6-dibromo-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43258396
2-amino-4-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 55006890
2-amino-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891919
4-amino-2,6-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891921
2-amino-4,6-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892113
2-amino-4-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61105871
4-amino-2,6-dibromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106057
2-amino-4,6-dibromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106058
2-amino-4-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61110507
4-amino-2,6-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61110695
2-amino-4,6-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61110697
4-amino-2-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61140660

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61140841) is 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Nc1cc(Br)cc(Br)c1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is SUPVSYABMVLIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2F3N2O3S/c11-6-3-7(12)9(8(16)4-6)21(19,20)17(1-2-18)5-10(13,14)15/h3-4,18H,1-2,5,16H2.
What are the key properties of 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 456.08 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61140841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).