N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

C21H26F3N3O2S — CID 172808620

IUPACN-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)N1CCN(c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H26F3N3O2S/c1-20(2,3)27-14-12-26(13-15-27)19-7-5-4-6-18(19)25-30(28,29)17-10-8-16(9-11-17)21(22,23)24/h4-11,25H,12-15H2,1-3H3
InChIKeyRVZBRVRPWROKNG-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.43
Rot. Bonds4

About N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 172808620) has the molecular formula C21H26F3N3O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID172808620
Molecular FormulaC21H26F3N3O2S
Molecular Weight441.52 g/mol
Exact Mass441.17
IUPAC NameN-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)(C)N1CCN(c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H26F3N3O2S/c1-20(2,3)27-14-12-26(13-15-27)19-7-5-4-6-18(19)25-30(28,29)17-10-8-16(9-11-17)21(22,23)24/h4-11,25H,12-15H2,1-3H3
InChIKeyRVZBRVRPWROKNG-UHFFFAOYSA-N
XLogP4.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
4-fluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8860759
N-(2-formylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 22185560
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936
4-bromo-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2435475
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
N-methyl-4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 17496437
4-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3859030
4-cyano-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814037
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494
4-[(2-piperidin-1-ylphenyl)sulfamoyl]benzamide
CID 51263382

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 172808620) is N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is CC(C)(C)N1CCN(c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RVZBRVRPWROKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2S/c1-20(2,3)27-14-12-26(13-15-27)19-7-5-4-6-18(19)25-30(28,29)17-10-8-16(9-11-17)21(22,23)24/h4-11,25H,12-15H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 441.52 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperazin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 172808620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).