4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide

C18H21F3N2O2S — CID 47074325

IUPAC4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1
InChIInChI=1S/C18H21F3N2O2S/c1-17(2,3)13-8-10-14(11-9-13)26(24,25)23-16-7-5-4-6-15(16)22-12-18(19,20)21/h4-11,22-23H,12H2,1-3H3
InChIKeySUYPSYYBMYADJK-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.76
Rot. Bonds5

About 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide

4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide (PubChem CID 47074325) has the molecular formula C18H21F3N2O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
PubChem CID47074325
Molecular FormulaC18H21F3N2O2S
Molecular Weight386.44 g/mol
Exact Mass386.13
IUPAC Name4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1
InChIInChI=1S/C18H21F3N2O2S/c1-17(2,3)13-8-10-14(11-9-13)26(24,25)23-16-7-5-4-6-15(16)22-12-18(19,20)21/h4-11,22-23H,12H2,1-3H3
InChIKeySUYPSYYBMYADJK-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169371397
2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784131
2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 60586094
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784110
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31578755
1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
CID 75396743
N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 172808620
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide (CID 47074325) is 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The InChIKey is SUYPSYYBMYADJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2S/c1-17(2,3)13-8-10-14(11-9-13)26(24,25)23-16-7-5-4-6-15(16)22-12-18(19,20)21/h4-11,22-23H,12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide has a molecular weight of 386.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 47074325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).