4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H14BrF3N2O2S — CID 61109943

IUPAC4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H14BrF3N2O2S/c1-7(2)17(6-11(13,14)15)20(18,19)10-4-3-8(16)5-9(10)12/h3-5,7H,6,16H2,1-2H3
InChIKeyCSKHGNMALTYDSB-UHFFFAOYSA-N
MW375.21 g/mol
LogP2.99
Rot. Bonds4

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

4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61109943) has the molecular formula C11H14BrF3N2O2S and a molecular weight of 375.21 g/mol. Its IUPAC name is 4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61109943
Molecular FormulaC11H14BrF3N2O2S
Molecular Weight375.21 g/mol
Exact Mass373.99
IUPAC Name4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H14BrF3N2O2S/c1-7(2)17(6-11(13,14)15)20(18,19)10-4-3-8(16)5-9(10)12/h3-5,7H,6,16H2,1-2H3
InChIKeyCSKHGNMALTYDSB-UHFFFAOYSA-N
XLogP2.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61109943) is 4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is CSKHGNMALTYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O2S/c1-7(2)17(6-11(13,14)15)20(18,19)10-4-3-8(16)5-9(10)12/h3-5,7H,6,16H2,1-2H3.
What are the key properties of 4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-amino-2-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 375.21 g/mol, XLogP of 2.99, 4 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-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61109943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).