4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H14BrF3N2O2S — CID 61105488

IUPAC4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H14BrF3N2O2S/c1-2-5-17(7-11(13,14)15)20(18,19)10-4-3-8(16)6-9(10)12/h3-4,6H,2,5,7,16H2,1H3
InChIKeyPDTWPJSIQDMXSV-UHFFFAOYSA-N
MW375.21 g/mol
LogP2.99
Rot. Bonds5

About 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61105488) has the molecular formula C11H14BrF3N2O2S and a molecular weight of 375.21 g/mol. Its IUPAC name is 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61105488
Molecular FormulaC11H14BrF3N2O2S
Molecular Weight375.21 g/mol
Exact Mass373.99
IUPAC Name4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H14BrF3N2O2S/c1-2-5-17(7-11(13,14)15)20(18,19)10-4-3-8(16)6-9(10)12/h3-4,6H,2,5,7,16H2,1H3
InChIKeyPDTWPJSIQDMXSV-UHFFFAOYSA-N
XLogP2.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106801
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
3-amino-2-bromo-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62957074
5-amino-2-fluoro-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 80628140
4-amino-2-bromo-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587401
4-amino-2-bromo-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 43571742
4-amino-2-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 107478030
4-amino-2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 55139512
2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 60531054
3-amino-1-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106434
5-amino-N-ethyl-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62145688

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61105488) is 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is PDTWPJSIQDMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O2S/c1-2-5-17(7-11(13,14)15)20(18,19)10-4-3-8(16)6-9(10)12/h3-4,6H,2,5,7,16H2,1H3.
What are the key properties of 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 375.21 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61105488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).