2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H8ClF3N2O2S — CID 29041086

IUPAC2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2S/c9-5-1-2-7(6(13)3-5)17(15,16)14-4-8(10,11)12/h1-3,14H,4,13H2
InChIKeyJNEBXUYYSHNFGI-UHFFFAOYSA-N
MW288.68 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 29041086) has the molecular formula C8H8ClF3N2O2S and a molecular weight of 288.68 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID29041086
Molecular FormulaC8H8ClF3N2O2S
Molecular Weight288.68 g/mol
Exact Mass287.99
IUPAC Name2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H8ClF3N2O2S/c9-5-1-2-7(6(13)3-5)17(15,16)14-4-8(10,11)12/h1-3,14H,4,13H2
InChIKeyJNEBXUYYSHNFGI-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.68
LogP ≤ 51.76
H-Bond Donors ≤ 52
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 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 29041086) is 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is JNEBXUYYSHNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O2S/c9-5-1-2-7(6(13)3-5)17(15,16)14-4-8(10,11)12/h1-3,14H,4,13H2.
What are the key properties of 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 288.68 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 29041086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).