N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide

C17H19F3N2O2S — CID 162674533

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H19F3N2O2S/c1-16(2,3)11-4-7-13(8-5-11)25(23,24)22-12-6-9-15(21)14(10-12)17(18,19)20/h4-10,22H,21H2,1-3H3
InChIKeyNHCNWQVFTNLDJV-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.39
Rot. Bonds3

About N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide

N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide (PubChem CID 162674533) has the molecular formula C17H19F3N2O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide
PubChem CID162674533
Molecular FormulaC17H19F3N2O2S
Molecular Weight372.41 g/mol
Exact Mass372.11
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H19F3N2O2S/c1-16(2,3)11-4-7-13(8-5-11)25(23,24)22-12-6-9-15(21)14(10-12)17(18,19)20/h4-10,22H,21H2,1-3H3
InChIKeyNHCNWQVFTNLDJV-UHFFFAOYSA-N
XLogP4.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.39
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

N-[4-amino-3-(trifluoromethyl)phenyl]-4-nitrobenzenesulfonamide
CID 162644046
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
4-tert-butyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 5185775
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
4-N,4-N-dimethyl-1-N-[4-methyl-3-(trifluoromethyl)phenyl]benzene-1,4-disulfonamide
CID 24580780
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 126128473
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide (CID 162674533) is N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(N)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide?
The InChIKey is NHCNWQVFTNLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2S/c1-16(2,3)11-4-7-13(8-5-11)25(23,24)22-12-6-9-15(21)14(10-12)17(18,19)20/h4-10,22H,21H2,1-3H3.
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide?
N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide has a molecular weight of 372.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(trifluoromethyl)phenyl]-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 162674533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).