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

C8H9F3N2O2S — CID 4962703

IUPAC4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)5-13-16(14,15)7-3-1-6(12)2-4-7/h1-4,13H,5,12H2
InChIKeyCSMJYCQMIGKRQO-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.11
Rot. Bonds3

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

4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 4962703) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID4962703
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)5-13-16(14,15)7-3-1-6(12)2-4-7/h1-4,13H,5,12H2
InChIKeyCSMJYCQMIGKRQO-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
CID 43096777
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]aniline
CID 114804619
4-amino-2-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148379
N-(3-amino-2,2-difluoropropyl)-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712963
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 4962703) is 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is CSMJYCQMIGKRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)5-13-16(14,15)7-3-1-6(12)2-4-7/h1-4,13H,5,12H2.
What are the key properties of 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 254.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 4962703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).