4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C19H22F3NO2S — CID 3806380

IUPAC4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H22F3NO2S/c1-4-18(2,3)15-9-11-17(12-10-15)26(24,25)23-13-14-5-7-16(8-6-14)19(20,21)22/h5-12,23H,4,13H2,1-3H3
InChIKeyCVJYHNKPUZACMC-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.87
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3806380) has the molecular formula C19H22F3NO2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID3806380
Molecular FormulaC19H22F3NO2S
Molecular Weight385.45 g/mol
Exact Mass385.13
IUPAC Name4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESCCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H22F3NO2S/c1-4-18(2,3)15-9-11-17(12-10-15)26(24,25)23-13-14-5-7-16(8-6-14)19(20,21)22/h5-12,23H,4,13H2,1-3H3
InChIKeyCVJYHNKPUZACMC-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 3806380) is 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is CCC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is CVJYHNKPUZACMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO2S/c1-4-18(2,3)15-9-11-17(12-10-15)26(24,25)23-13-14-5-7-16(8-6-14)19(20,21)22/h5-12,23H,4,13H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3806380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).